N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole

C400H349F26N51O24S2 — CID 158807990

IUPACN-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole
SMILES[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C(=O)NS(=C)(=O)C6CC6)cc5n4CC(C)(C)C(F)F)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C(=O)NS(=C)(=O)C6CC6)cc5n4CC(C)(C)CF)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC(C)(C)C(F)F)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC(C)(C)CF)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC4(C)CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC4(CF)CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CCO[C@@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CCO[C@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CC[C@@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CC[C@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2ccnc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2nc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3)ccc2C)c(F)c1
InChIInChI=1S/C37H33F4N5O3S.C37H34F3N5O3S.C33H28F4N4O.C33H27F3N4O.C33H29F3N4O.C33H28F2N4O.2C33H29FN4O3.2C33H29FN4O2.C32H29FN4O2.C30H25F2N5O2/c1-37(2,36(40)41)21-46-32-17-24(35(47)45-50(4,48)27-13-14-27)11-15-31(32)43-33(46)18-22-8-9-23(16-28(22)38)30-6-5-7-34(44-30)49-20-25-10-12-26(42-3)19-29(25)39;1-37(2,21-38)22-45-33-17-25(36(46)44-49(4,47)28-13-14-28)11-15-32(33)42-34(45)18-23-8-9-24(16-29(23)39)31-6-5-7-35(43-31)48-20-26-10-12-27(41-3)19-30(26)40;1-20-8-13-28-29(14-20)41(19-33(2,3)32(36)37)30(39-28)16-21-9-10-22(15-25(21)34)27-6-5-7-31(40-27)42-18-23-11-12-24(38-4)17-26(23)35;1-21-6-11-29-30(14-21)40(20-33(19-34)12-13-33)31(38-29)16-22-7-8-23(15-26(22)35)28-4-3-5-32(39-28)41-18-24-9-10-25(37-2)17-27(24)36;1-21-8-13-29-30(14-21)40(20-33(2,3)19-34)31(38-29)16-22-9-10-23(15-26(22)35)28-6-5-7-32(39-28)41-18-24-11-12-25(37-4)17-27(24)36;1-21-7-12-29-30(15-21)39(20-33(2)13-14-33)31(37-29)17-22-8-9-23(16-26(22)34)28-5-4-6-32(38-28)40-19-24-10-11-25(36-3)18-27(24)35;2*1-21-7-12-29-30(17-21)38(14-16-39-3)33(37-29)32-26-11-9-23(18-22(26)13-15-40-32)28-5-4-6-31(36-28)41-20-24-8-10-25(35-2)19-27(24)34;2*1-21-7-14-30-31(17-21)38(15-16-39-3)33(37-30)27-13-9-22-18-23(10-12-26(22)27)29-5-4-6-32(36-29)40-20-24-8-11-25(35-2)19-28(24)34;1-21-5-13-29-30(17-21)37(15-16-38-4)31(35-29)18-23-7-9-24(10-8-23)28-14-6-22(2)32(36-28)39-20-25-11-12-26(34-3)19-27(25)33;1-19-4-9-26-27(14-19)37(12-13-38-3)28(35-26)16-20-5-6-21(15-24(20)31)30-34-11-10-29(36-30)39-18-22-7-8-23(33-2)17-25(22)32/h5-12,15-17,19,27,36H,4,13-14,18,20-21H2,1-2H3,(H,45,47,48);5-12,15-17,19,28H,4,13-14,18,20-22H2,1-2H3,(H,44,46,47);5-15,17,32H,16,18-19H2,1-3H3;3-11,14-15,17H,12-13,16,18-20H2,1H3;5-15,17H,16,18-20H2,1-3H3;4-12,15-16,18H,13-14,17,19-20H2,1-2H3;2*4-12,17-19,32H,13-16,20H2,1,3H3;2*4-8,10-12,14,17-19,27H,9,13,15-16,20H2,1,3H3;5-14,17,19H,15-16,18,20H2,1-2,4H3;4-11,14-15,17H,12-13,16,18H2,1,3H3/t;;;;;;2*32-;2*27-;;/m......1010../s1
InChIKeyIUICTOKRFRIMMH-MSMIKABZSA-N
MW6812.61 g/mol
LogP91.42
Rot. Bonds109

About N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole

N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole (PubChem CID 158807990) has the molecular formula C400H349F26N51O24S2 and a molecular weight of 6812.61 g/mol. Its IUPAC name is N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole.

Molecular Properties

Compound NameN-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole
PubChem CID158807990
Molecular FormulaC400H349F26N51O24S2
Molecular Weight6812.61 g/mol
Exact Mass6807.67
IUPAC NameN-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole
SMILES[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C(=O)NS(=C)(=O)C6CC6)cc5n4CC(C)(C)C(F)F)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C(=O)NS(=C)(=O)C6CC6)cc5n4CC(C)(C)CF)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC(C)(C)C(F)F)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC(C)(C)CF)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC4(C)CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC4(CF)CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CCO[C@@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CCO[C@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CC[C@@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CC[C@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2ccnc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2nc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3)ccc2C)c(F)c1
InChIInChI=1S/C37H33F4N5O3S.C37H34F3N5O3S.C33H28F4N4O.C33H27F3N4O.C33H29F3N4O.C33H28F2N4O.2C33H29FN4O3.2C33H29FN4O2.C32H29FN4O2.C30H25F2N5O2/c1-37(2,36(40)41)21-46-32-17-24(35(47)45-50(4,48)27-13-14-27)11-15-31(32)43-33(46)18-22-8-9-23(16-28(22)38)30-6-5-7-34(44-30)49-20-25-10-12-26(42-3)19-29(25)39;1-37(2,21-38)22-45-33-17-25(36(46)44-49(4,47)28-13-14-28)11-15-32(33)42-34(45)18-23-8-9-24(16-29(23)39)31-6-5-7-35(43-31)48-20-26-10-12-27(41-3)19-30(26)40;1-20-8-13-28-29(14-20)41(19-33(2,3)32(36)37)30(39-28)16-21-9-10-22(15-25(21)34)27-6-5-7-31(40-27)42-18-23-11-12-24(38-4)17-26(23)35;1-21-6-11-29-30(14-21)40(20-33(19-34)12-13-33)31(38-29)16-22-7-8-23(15-26(22)35)28-4-3-5-32(39-28)41-18-24-9-10-25(37-2)17-27(24)36;1-21-8-13-29-30(14-21)40(20-33(2,3)19-34)31(38-29)16-22-9-10-23(15-26(22)35)28-6-5-7-32(39-28)41-18-24-11-12-25(37-4)17-27(24)36;1-21-7-12-29-30(15-21)39(20-33(2)13-14-33)31(37-29)17-22-8-9-23(16-26(22)34)28-5-4-6-32(38-28)40-19-24-10-11-25(36-3)18-27(24)35;2*1-21-7-12-29-30(17-21)38(14-16-39-3)33(37-29)32-26-11-9-23(18-22(26)13-15-40-32)28-5-4-6-31(36-28)41-20-24-8-10-25(35-2)19-27(24)34;2*1-21-7-14-30-31(17-21)38(15-16-39-3)33(37-30)27-13-9-22-18-23(10-12-26(22)27)29-5-4-6-32(36-29)40-20-24-8-11-25(35-2)19-28(24)34;1-21-5-13-29-30(17-21)37(15-16-38-4)31(35-29)18-23-7-9-24(10-8-23)28-14-6-22(2)32(36-28)39-20-25-11-12-26(34-3)19-27(25)33;1-19-4-9-26-27(14-19)37(12-13-38-3)28(35-26)16-20-5-6-21(15-24(20)31)30-34-11-10-29(36-30)39-18-22-7-8-23(33-2)17-25(22)32/h5-12,15-17,19,27,36H,4,13-14,18,20-21H2,1-2H3,(H,45,47,48);5-12,15-17,19,28H,4,13-14,18,20-22H2,1-2H3,(H,44,46,47);5-15,17,32H,16,18-19H2,1-3H3;3-11,14-15,17H,12-13,16,18-20H2,1H3;5-15,17H,16,18-20H2,1-3H3;4-12,15-16,18H,13-14,17,19-20H2,1-2H3;2*4-12,17-19,32H,13-16,20H2,1,3H3;2*4-8,10-12,14,17-19,27H,9,13,15-16,20H2,1,3H3;5-14,17,19H,15-16,18,20H2,1-2,4H3;4-11,14-15,17H,12-13,16,18H2,1,3H3/t;;;;;;2*32-;2*27-;;/m......1010../s1
InChIKeyIUICTOKRFRIMMH-MSMIKABZSA-N
XLogP91.42
TPSA710.67 Ų
H-Bond Donors2
H-Bond Acceptors61
Rotatable Bonds109
Heavy Atoms503
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006812.61
LogP ≤ 591.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1061

Analyze N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole with MolForge

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Related Compounds

N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 158808001
3-(3-cyano-2,2-dimethylpropyl)-N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide
CID 159113123
2-[[2-chloro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole
CID 160947123
2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methoxyphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole
CID 160947127
3-[2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazol-1-yl]-2,2-dimethylpropanenitrile
CID 159113119
2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-(trifluoromethoxy)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 158233690
2-[[2-fluoro-4-[2-[(2-fluoro-4-methylphenyl)methoxy]pyrimidin-4-yl]phenyl]methyl]-3-[[1-(fluoromethyl)cyclopropyl]methyl]benzimidazole-5-carboxylic acid
CID 156731304
5-[(2-fluoro-4-isocyanophenyl)methoxy]-3-[3-fluoro-4-[[1-(2-methoxyethyl)-6-methylbenzimidazol-2-yl]methyl]phenyl]-1,2,4-thiadiazole
CID 159113113
2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole
CID 158877345
2-[[2,5-difluoro-4-[6-[[2-fluoro-4-(2-methyl-3-pyridinyl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 170322882
3-[(2S)-3-amino-2-methoxy-3-oxopropyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-methylphenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxylic acid;azane;ethane
CID 156731074
methyl 2-[[4-[4-amino-3-[(4-cyano-2-fluorophenyl)methoxy]phenyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[4-cyano-6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]-2-fluorophenyl]methyl]-1-(2-methoxyethyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 2-[[2-fluoro-4-(3-phenylmethoxypyrazol-1-yl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 161208296

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole?
The IUPAC name of N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole (CID 158807990) is N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole.
What is the SMILES notation for N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole?
The canonical SMILES for N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole is [C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C(=O)NS(=C)(=O)C6CC6)cc5n4CC(C)(C)C(F)F)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C(=O)NS(=C)(=O)C6CC6)cc5n4CC(C)(C)CF)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC(C)(C)C(F)F)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC(C)(C)CF)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC4(C)CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC4(CF)CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CCO[C@@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CCO[C@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CC[C@@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc4c(c3)CC[C@H]4c3nc4ccc(C)cc4n3CCOC)n2)c(F)c1.[C-]#[N+]c1ccc(COc2ccnc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2nc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3)ccc2C)c(F)c1.
What is the InChIKey of N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole?
The InChIKey is IUICTOKRFRIMMH-MSMIKABZSA-N. The full InChI is InChI=1S/C37H33F4N5O3S.C37H34F3N5O3S.C33H28F4N4O.C33H27F3N4O.C33H29F3N4O.C33H28F2N4O.2C33H29FN4O3.2C33H29FN4O2.C32H29FN4O2.C30H25F2N5O2/c1-37(2,36(40)41)21-46-32-17-24(35(47)45-50(4,48)27-13-14-27)11-15-31(32)43-33(46)18-22-8-9-23(16-28(22)38)30-6-5-7-34(44-30)49-20-25-10-12-26(42-3)19-29(25)39;1-37(2,21-38)22-45-33-17-25(36(46)44-49(4,47)28-13-14-28)11-15-32(33)42-34(45)18-23-8-9-24(16-29(23)39)31-6-5-7-35(43-31)48-20-26-10-12-27(41-3)19-30(26)40;1-20-8-13-28-29(14-20)41(19-33(2,3)32(36)37)30(39-28)16-21-9-10-22(15-25(21)34)27-6-5-7-31(40-27)42-18-23-11-12-24(38-4)17-26(23)35;1-21-6-11-29-30(14-21)40(20-33(19-34)12-13-33)31(38-29)16-22-7-8-23(15-26(22)35)28-4-3-5-32(39-28)41-18-24-9-10-25(37-2)17-27(24)36;1-21-8-13-29-30(14-21)40(20-33(2,3)19-34)31(38-29)16-22-9-10-23(15-26(22)35)28-6-5-7-32(39-28)41-18-24-11-12-25(37-4)17-27(24)36;1-21-7-12-29-30(15-21)39(20-33(2)13-14-33)31(37-29)17-22-8-9-23(16-26(22)34)28-5-4-6-32(38-28)40-19-24-10-11-25(36-3)18-27(24)35;2*1-21-7-12-29-30(17-21)38(14-16-39-3)33(37-29)32-26-11-9-23(18-22(26)13-15-40-32)28-5-4-6-31(36-28)41-20-24-8-10-25(35-2)19-27(24)34;2*1-21-7-14-30-31(17-21)38(15-16-39-3)33(37-30)27-13-9-22-18-23(10-12-26(22)27)29-5-4-6-32(36-29)40-20-24-8-11-25(35-2)19-28(24)34;1-21-5-13-29-30(17-21)37(15-16-38-4)31(35-29)18-23-7-9-24(10-8-23)28-14-6-22(2)32(36-28)39-20-25-11-12-26(34-3)19-27(25)33;1-19-4-9-26-27(14-19)37(12-13-38-3)28(35-26)16-20-5-6-21(15-24(20)31)30-34-11-10-29(36-30)39-18-22-7-8-23(33-2)17-25(22)32/h5-12,15-17,19,27,36H,4,13-14,18,20-21H2,1-2H3,(H,45,47,48);5-12,15-17,19,28H,4,13-14,18,20-22H2,1-2H3,(H,44,46,47);5-15,17,32H,16,18-19H2,1-3H3;3-11,14-15,17H,12-13,16,18-20H2,1H3;5-15,17H,16,18-20H2,1-3H3;4-12,15-16,18H,13-14,17,19-20H2,1-2H3;2*4-12,17-19,32H,13-16,20H2,1,3H3;2*4-8,10-12,14,17-19,27H,9,13,15-16,20H2,1,3H3;5-14,17,19H,15-16,18,20H2,1-2,4H3;4-11,14-15,17H,12-13,16,18H2,1,3H3/t;;;;;;2*32-;2*27-;;/m......1010../s1.
What are the key properties of N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole?
N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole has a molecular weight of 6812.61 g/mol, XLogP of 91.42, 109 rotatable bonds, 2 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;N-(cyclopropyl-methylidene-oxo-λ6-sulfanyl)-3-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]benzimidazole-5-carboxamide;1-(3,3-difluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-(3-fluoro-2,2-dimethylpropyl)-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-[[1-(fluoromethyl)cyclopropyl]methyl]-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazole;2-[[2-fluoro-4-[4-[(2-fluoro-4-isocyanophenyl)methoxy]pyrimidin-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-5-methyl-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1S)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[(1R)-6-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3,4-dihydro-1H-isochromen-1-yl]-1-(2-methoxyethyl)-6-methylbenzimidazole is sourced from PubChem (CID 158807990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).