1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole

C384H323F23N52O20S — CID 158877335

IUPAC1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole
SMILES[C-]#[N+]c1ccc(COc2cccc(-c3ccc(C4(c5nc6ccc(C)cc6n5CCOC)CC4)cc3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC4(C(F)F)CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCC)s3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)c(C)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3C(F)(F)F)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3F)c2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3F)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4Cc4cncn4C4CC4)c(F)c3)c2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4Cc4cncn4C4CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3cnc(Cc4nc5ccc(C)cc5n4CCOC)nc3)n2)c(F)c1
InChIInChI=1S/C36H29F2N5O.C35H28F2N6O.C33H26F4N4O.C33H29FN4O2.C32H26F4N4O2.C32H27F2N3O2.C32H29FN4O2.2C31H26F2N4O2.C31H27FN4O2.C29H25FN6O2.C29H25FN4OS/c1-23-6-13-34-35(14-23)42(20-30-19-40-22-43(30)29-11-12-29)36(41-34)17-26-8-7-25(16-32(26)37)24-4-3-5-31(15-24)44-21-27-9-10-28(39-2)18-33(27)38;1-22-6-13-32-33(14-22)42(19-28-18-39-21-43(28)27-11-12-27)34(40-32)16-23-7-8-24(15-29(23)36)31-4-3-5-35(41-31)44-20-25-9-10-26(38-2)17-30(25)37;1-20-6-11-28-29(14-20)41(19-33(12-13-33)32(36)37)30(39-28)16-21-7-8-22(15-25(21)34)27-4-3-5-31(40-27)42-18-23-9-10-24(38-2)17-26(23)35;1-22-7-14-29-30(19-22)38(17-18-39-3)32(37-29)33(15-16-33)25-11-8-23(9-12-25)28-5-4-6-31(36-28)40-21-24-10-13-26(35-2)20-27(24)34;1-20-7-12-28-29(15-20)40(13-14-41-3)30(38-28)17-21-8-11-24(25(16-21)32(34,35)36)27-5-4-6-31(39-27)42-19-22-9-10-23(37-2)18-26(22)33;1-21-7-12-30-31(15-21)37(13-14-38-3)32(36-30)17-22-8-11-27(29(34)16-22)23-5-4-6-26(18-23)39-20-24-9-10-25(35-2)19-28(24)33;1-21-8-13-29-30(16-21)37(14-15-38-4)31(35-29)18-23-9-10-24(17-22(23)2)28-6-5-7-32(36-28)39-20-25-11-12-26(34-3)19-27(25)33;1-20-7-12-28-29(15-20)37(13-14-38-3)30(35-28)17-21-8-11-24(26(33)16-21)27-5-4-6-31(36-27)39-19-22-9-10-23(34-2)18-25(22)32;1-20-7-12-28-29(15-20)37(13-14-38-3)30(35-28)17-21-8-9-22(16-25(21)32)27-5-4-6-31(36-27)39-19-23-10-11-24(34-2)18-26(23)33;1-21-7-14-28-29(17-21)36(15-16-37-3)30(34-28)18-22-8-10-23(11-9-22)27-5-4-6-31(35-27)38-20-24-12-13-25(33-2)19-26(24)32;1-19-7-10-25-26(13-19)36(11-12-37-3)28(34-25)15-27-32-16-21(17-33-27)24-5-4-6-29(35-24)38-18-20-8-9-22(31-2)14-23(20)30;1-4-14-34-26-15-19(2)8-12-24(26)32-28(34)17-22-11-13-27(36-22)25-6-5-7-29(33-25)35-18-20-9-10-21(31-3)16-23(20)30/h3-10,13-16,18-19,22,29H,11-12,17,20-21H2,1H3;3-10,13-15,17-18,21,27H,11-12,16,19-20H2,1H3;3-11,14-15,17,32H,12-13,16,18-19H2,1H3;4-14,19-20H,15-18,21H2,1,3H3;4-12,15-16,18H,13-14,17,19H2,1,3H3;4-12,15-16,18-19H,13-14,17,20H2,1,3H3;5-13,16-17,19H,14-15,18,20H2,1-2,4H3;2*4-12,15-16,18H,13-14,17,19H2,1,3H3;4-14,17,19H,15-16,18,20H2,1,3H3;4-10,13-14,16-17H,11-12,15,18H2,1,3H3;5-13,15-16H,4,14,17-18H2,1-2H3
InChIKeyJCPGRGAOLRRZJP-UHFFFAOYSA-N
MW6455.17 g/mol
LogP89.70
Rot. Bonds107

About 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole

1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole (PubChem CID 158877335) has the molecular formula C384H323F23N52O20S and a molecular weight of 6455.17 g/mol. Its IUPAC name is 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole.

Molecular Properties

Compound Name1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole
PubChem CID158877335
Molecular FormulaC384H323F23N52O20S
Molecular Weight6455.17 g/mol
Exact Mass6450.52
IUPAC Name1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole
SMILES[C-]#[N+]c1ccc(COc2cccc(-c3ccc(C4(c5nc6ccc(C)cc6n5CCOC)CC4)cc3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC4(C(F)F)CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCC)s3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)c(C)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3C(F)(F)F)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3F)c2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3F)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4Cc4cncn4C4CC4)c(F)c3)c2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4Cc4cncn4C4CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3cnc(Cc4nc5ccc(C)cc5n4CCOC)nc3)n2)c(F)c1
InChIInChI=1S/C36H29F2N5O.C35H28F2N6O.C33H26F4N4O.C33H29FN4O2.C32H26F4N4O2.C32H27F2N3O2.C32H29FN4O2.2C31H26F2N4O2.C31H27FN4O2.C29H25FN6O2.C29H25FN4OS/c1-23-6-13-34-35(14-23)42(20-30-19-40-22-43(30)29-11-12-29)36(41-34)17-26-8-7-25(16-32(26)37)24-4-3-5-31(15-24)44-21-27-9-10-28(39-2)18-33(27)38;1-22-6-13-32-33(14-22)42(19-28-18-39-21-43(28)27-11-12-27)34(40-32)16-23-7-8-24(15-29(23)36)31-4-3-5-35(41-31)44-20-25-9-10-26(38-2)17-30(25)37;1-20-6-11-28-29(14-20)41(19-33(12-13-33)32(36)37)30(39-28)16-21-7-8-22(15-25(21)34)27-4-3-5-31(40-27)42-18-23-9-10-24(38-2)17-26(23)35;1-22-7-14-29-30(19-22)38(17-18-39-3)32(37-29)33(15-16-33)25-11-8-23(9-12-25)28-5-4-6-31(36-28)40-21-24-10-13-26(35-2)20-27(24)34;1-20-7-12-28-29(15-20)40(13-14-41-3)30(38-28)17-21-8-11-24(25(16-21)32(34,35)36)27-5-4-6-31(39-27)42-19-22-9-10-23(37-2)18-26(22)33;1-21-7-12-30-31(15-21)37(13-14-38-3)32(36-30)17-22-8-11-27(29(34)16-22)23-5-4-6-26(18-23)39-20-24-9-10-25(35-2)19-28(24)33;1-21-8-13-29-30(16-21)37(14-15-38-4)31(35-29)18-23-9-10-24(17-22(23)2)28-6-5-7-32(36-28)39-20-25-11-12-26(34-3)19-27(25)33;1-20-7-12-28-29(15-20)37(13-14-38-3)30(35-28)17-21-8-11-24(26(33)16-21)27-5-4-6-31(36-27)39-19-22-9-10-23(34-2)18-25(22)32;1-20-7-12-28-29(15-20)37(13-14-38-3)30(35-28)17-21-8-9-22(16-25(21)32)27-5-4-6-31(36-27)39-19-23-10-11-24(34-2)18-26(23)33;1-21-7-14-28-29(17-21)36(15-16-37-3)30(34-28)18-22-8-10-23(11-9-22)27-5-4-6-31(35-27)38-20-24-12-13-25(33-2)19-26(24)32;1-19-7-10-25-26(13-19)36(11-12-37-3)28(34-25)15-27-32-16-21(17-33-27)24-5-4-6-29(35-24)38-18-20-8-9-22(31-2)14-23(20)30;1-4-14-34-26-15-19(2)8-12-24(26)32-28(34)17-22-11-13-27(36-22)25-6-5-7-29(33-25)35-18-20-9-10-21(31-3)16-23(20)30/h3-10,13-16,18-19,22,29H,11-12,17,20-21H2,1H3;3-10,13-15,17-18,21,27H,11-12,16,19-20H2,1H3;3-11,14-15,17,32H,12-13,16,18-19H2,1H3;4-14,19-20H,15-18,21H2,1,3H3;4-12,15-16,18H,13-14,17,19H2,1,3H3;4-12,15-16,18-19H,13-14,17,20H2,1,3H3;5-13,16-17,19H,14-15,18,20H2,1-2,4H3;2*4-12,15-16,18H,13-14,17,19H2,1,3H3;4-14,17,19H,15-16,18,20H2,1,3H3;4-10,13-14,16-17H,11-12,15,18H2,1,3H3;5-13,15-16H,4,14,17-18H2,1-2H3
InChIKeyJCPGRGAOLRRZJP-UHFFFAOYSA-N
XLogP89.70
TPSA641.08 Ų
H-Bond Donors
H-Bond Acceptors61
Rotatable Bonds107
Heavy Atoms480
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006455.17
LogP ≤ 589.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1061

Analyze 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole?
The IUPAC name of 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole (CID 158877335) is 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole.
What is the SMILES notation for 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole?
The canonical SMILES for 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole is [C-]#[N+]c1ccc(COc2cccc(-c3ccc(C4(c5nc6ccc(C)cc6n5CCOC)CC4)cc3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CC4(C(F)F)CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCC)s3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)c(C)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3C(F)(F)F)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3F)c2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4CCOC)cc3F)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4Cc4cncn4C4CC4)c(F)c3)c2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3ccc(Cc4nc5ccc(C)cc5n4Cc4cncn4C4CC4)c(F)c3)n2)c(F)c1.[C-]#[N+]c1ccc(COc2cccc(-c3cnc(Cc4nc5ccc(C)cc5n4CCOC)nc3)n2)c(F)c1.
What is the InChIKey of 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole?
The InChIKey is JCPGRGAOLRRZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29F2N5O.C35H28F2N6O.C33H26F4N4O.C33H29FN4O2.C32H26F4N4O2.C32H27F2N3O2.C32H29FN4O2.2C31H26F2N4O2.C31H27FN4O2.C29H25FN6O2.C29H25FN4OS/c1-23-6-13-34-35(14-23)42(20-30-19-40-22-43(30)29-11-12-29)36(41-34)17-26-8-7-25(16-32(26)37)24-4-3-5-31(15-24)44-21-27-9-10-28(39-2)18-33(27)38;1-22-6-13-32-33(14-22)42(19-28-18-39-21-43(28)27-11-12-27)34(40-32)16-23-7-8-24(15-29(23)36)31-4-3-5-35(41-31)44-20-25-9-10-26(38-2)17-30(25)37;1-20-6-11-28-29(14-20)41(19-33(12-13-33)32(36)37)30(39-28)16-21-7-8-22(15-25(21)34)27-4-3-5-31(40-27)42-18-23-9-10-24(38-2)17-26(23)35;1-22-7-14-29-30(19-22)38(17-18-39-3)32(37-29)33(15-16-33)25-11-8-23(9-12-25)28-5-4-6-31(36-28)40-21-24-10-13-26(35-2)20-27(24)34;1-20-7-12-28-29(15-20)40(13-14-41-3)30(38-28)17-21-8-11-24(25(16-21)32(34,35)36)27-5-4-6-31(39-27)42-19-22-9-10-23(37-2)18-26(22)33;1-21-7-12-30-31(15-21)37(13-14-38-3)32(36-30)17-22-8-11-27(29(34)16-22)23-5-4-6-26(18-23)39-20-24-9-10-25(35-2)19-28(24)33;1-21-8-13-29-30(16-21)37(14-15-38-4)31(35-29)18-23-9-10-24(17-22(23)2)28-6-5-7-32(36-28)39-20-25-11-12-26(34-3)19-27(25)33;1-20-7-12-28-29(15-20)37(13-14-38-3)30(35-28)17-21-8-11-24(26(33)16-21)27-5-4-6-31(36-27)39-19-22-9-10-23(34-2)18-25(22)32;1-20-7-12-28-29(15-20)37(13-14-38-3)30(35-28)17-21-8-9-22(16-25(21)32)27-5-4-6-31(36-27)39-19-23-10-11-24(34-2)18-26(23)33;1-21-7-14-28-29(17-21)36(15-16-37-3)30(34-28)18-22-8-10-23(11-9-22)27-5-4-6-31(35-27)38-20-24-12-13-25(33-2)19-26(24)32;1-19-7-10-25-26(13-19)36(11-12-37-3)28(34-25)15-27-32-16-21(17-33-27)24-5-4-6-29(35-24)38-18-20-8-9-22(31-2)14-23(20)30;1-4-14-34-26-15-19(2)8-12-24(26)32-28(34)17-22-11-13-27(36-22)25-6-5-7-29(33-25)35-18-20-9-10-21(31-3)16-23(20)30/h3-10,13-16,18-19,22,29H,11-12,17,20-21H2,1H3;3-10,13-15,17-18,21,27H,11-12,16,19-20H2,1H3;3-11,14-15,17,32H,12-13,16,18-19H2,1H3;4-14,19-20H,15-18,21H2,1,3H3;4-12,15-16,18H,13-14,17,19H2,1,3H3;4-12,15-16,18-19H,13-14,17,20H2,1,3H3;5-13,16-17,19H,14-15,18,20H2,1-2,4H3;2*4-12,15-16,18H,13-14,17,19H2,1,3H3;4-14,17,19H,15-16,18,20H2,1,3H3;4-10,13-14,16-17H,11-12,15,18H2,1,3H3;5-13,15-16H,4,14,17-18H2,1-2H3.
What are the key properties of 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole?
1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole has a molecular weight of 6455.17 g/mol, XLogP of 89.70, 107 rotatable bonds, 0 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-6-methylbenzimidazole;1-[(3-cyclopropylimidazol-4-yl)methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;1-[[1-(difluoromethyl)cyclopropyl]methyl]-2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-6-methylbenzimidazole;2-[[3-fluoro-4-[3-[(2-fluoro-4-isocyanophenyl)methoxy]phenyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[2-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[3-fluoro-4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-2-methylphenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[1-[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]cyclopropyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]pyrimidin-2-yl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole;2-[[5-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]thiophen-2-yl]methyl]-6-methyl-1-propylbenzimidazole;2-[[4-[6-[(2-fluoro-4-isocyanophenyl)methoxy]-2-pyridinyl]-3-(trifluoromethyl)phenyl]methyl]-1-(2-methoxyethyl)-6-methylbenzimidazole is sourced from PubChem (CID 158877335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).