N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide

C137H119Br3Cl4F22N20O15 — CID 164996136

IUPACN-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide
SMILESCOc1cc2c(cc1C(N)=O)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C.COc1cc2nc(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)[nH]c2cc1C(=O)Nc1ccc(Br)cc1.Cn1c(Cc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2F)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc21.O=C(NCC1CC1)c1cc2[nH]c(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)nc2cc1OCC(F)F.O=C(Nc1ccc(Br)cc1)c1cc2[nH]c(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)nc2cc1OCC(F)F
InChIInChI=1S/C30H25BrF6N4O3.C29H23BrClF5N4O3.C28H23BrClF3N4O3.C27H26ClF5N4O3.C23H22ClF3N4O3/c1-41-23-13-24(44-15-25(33)34)20(27(42)39-19-5-3-18(31)4-6-19)12-22(23)40-26(41)11-17-10-16(2-7-21(17)32)14-38-28(43)29(8-9-29)30(35,36)37;30-17-2-4-18(5-3-17)38-26(41)19-11-21-22(12-23(19)43-14-24(32)33)40-25(39-21)10-16-9-15(1-6-20(16)31)13-37-27(42)28(7-8-28)29(34,35)36;1-40-23-13-22-21(12-19(23)25(38)35-18-5-3-17(29)4-6-18)36-24(37-22)11-16-10-15(2-7-20(16)30)14-34-26(39)27(8-9-27)28(31,32)33;28-18-4-3-15(12-35-25(39)26(5-6-26)27(31,32)33)7-16(18)8-23-36-19-9-17(24(38)34-11-14-1-2-14)21(10-20(19)37-23)40-13-22(29)30;1-31-17-10-18(34-2)14(20(28)32)9-16(17)30-19(31)8-13-7-12(3-4-15(13)24)11-29-21(33)22(5-6-22)23(25,26)27/h2-7,10,12-13,25H,8-9,11,14-15H2,1H3,(H,38,43)(H,39,42);1-6,9,11-12,24H,7-8,10,13-14H2,(H,37,42)(H,38,41)(H,39,40);2-7,10,12-13H,8-9,11,14H2,1H3,(H,34,39)(H,35,38)(H,36,37);3-4,7,9-10,14,22H,1-2,5-6,8,11-13H2,(H,34,38)(H,35,39)(H,36,37);3-4,7,9-10H,5-6,8,11H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyHOSYADZRCBVDKU-UHFFFAOYSA-N
MW3085.06 g/mol
LogP30.57
Rot. Bonds46

About N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide

N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide (PubChem CID 164996136) has the molecular formula C137H119Br3Cl4F22N20O15 and a molecular weight of 3085.06 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide
PubChem CID164996136
Molecular FormulaC137H119Br3Cl4F22N20O15
Molecular Weight3085.06 g/mol
Exact Mass3078.51
IUPAC NameN-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide
SMILESCOc1cc2c(cc1C(N)=O)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C.COc1cc2nc(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)[nH]c2cc1C(=O)Nc1ccc(Br)cc1.Cn1c(Cc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2F)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc21.O=C(NCC1CC1)c1cc2[nH]c(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)nc2cc1OCC(F)F.O=C(Nc1ccc(Br)cc1)c1cc2[nH]c(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)nc2cc1OCC(F)F
InChIInChI=1S/C30H25BrF6N4O3.C29H23BrClF5N4O3.C28H23BrClF3N4O3.C27H26ClF5N4O3.C23H22ClF3N4O3/c1-41-23-13-24(44-15-25(33)34)20(27(42)39-19-5-3-18(31)4-6-19)12-22(23)40-26(41)11-17-10-16(2-7-21(17)32)14-38-28(43)29(8-9-29)30(35,36)37;30-17-2-4-18(5-3-17)38-26(41)19-11-21-22(12-23(19)43-14-24(32)33)40-25(39-21)10-16-9-15(1-6-20(16)31)13-37-27(42)28(7-8-28)29(34,35)36;1-40-23-13-22-21(12-19(23)25(38)35-18-5-3-17(29)4-6-18)36-24(37-22)11-16-10-15(2-7-20(16)30)14-34-26(39)27(8-9-27)28(31,32)33;28-18-4-3-15(12-35-25(39)26(5-6-26)27(31,32)33)7-16(18)8-23-36-19-9-17(24(38)34-11-14-1-2-14)21(10-20(19)37-23)40-13-22(29)30;1-31-17-10-18(34-2)14(20(28)32)9-16(17)30-19(31)8-13-7-12(3-4-15(13)24)11-29-21(33)22(5-6-22)23(25,26)27/h2-7,10,12-13,25H,8-9,11,14-15H2,1H3,(H,38,43)(H,39,42);1-6,9,11-12,24H,7-8,10,13-14H2,(H,37,42)(H,38,41)(H,39,40);2-7,10,12-13H,8-9,11,14H2,1H3,(H,34,39)(H,35,38)(H,36,37);3-4,7,9-10,14,22H,1-2,5-6,8,11-13H2,(H,34,38)(H,35,39)(H,36,37);3-4,7,9-10H,5-6,8,11H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyHOSYADZRCBVDKU-UHFFFAOYSA-N
XLogP30.57
TPSA472.82 Ų
H-Bond Donors13
H-Bond Acceptors22
Rotatable Bonds46
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003085.06
LogP ≤ 530.57
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1022

Analyze N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide with MolForge

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Related Compounds

N-(4-bromophenyl)-2-[2-chloro-5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]anilino]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 46908639
N-(4-bromophenyl)-2-[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]anilino]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 46908833
tert-butyl N-[[3-[[5-[(4-bromophenyl)carbamoyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]carbamate
CID 59529837
2-[[5-(aminomethyl)-2-chlorophenyl]methyl]-N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 59529847
N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-difluoropropanoylamino)methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 59529887
N-(4-bromophenyl)-2-[[2-chloro-5-[[(1-hydroxycyclopropanecarbonyl)amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 147984022
N-(4-bromophenyl)-2-[[6-chloro-3-[(2,2-dimethylpropanoylamino)methyl]-2-fluorophenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide
CID 148197759
N-(4-bromophenyl)-2-[[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 149198672
2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide
CID 149332706
N-(4-bromophenyl)-2-[[2-chloro-5-[(cyclopropanecarbonylamino)methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 153006240
N-(4-bromophenyl)-2-[[2-chloro-5-[[(2-chloro-6-fluorobenzoyl)amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 157108867
CID 157150335
CID 157150335

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide (CID 164996136) is N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide is COc1cc2c(cc1C(N)=O)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C.COc1cc2nc(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)[nH]c2cc1C(=O)Nc1ccc(Br)cc1.Cn1c(Cc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2F)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc21.O=C(NCC1CC1)c1cc2[nH]c(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)nc2cc1OCC(F)F.O=C(Nc1ccc(Br)cc1)c1cc2[nH]c(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)nc2cc1OCC(F)F.
What is the InChIKey of N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide?
The InChIKey is HOSYADZRCBVDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25BrF6N4O3.C29H23BrClF5N4O3.C28H23BrClF3N4O3.C27H26ClF5N4O3.C23H22ClF3N4O3/c1-41-23-13-24(44-15-25(33)34)20(27(42)39-19-5-3-18(31)4-6-19)12-22(23)40-26(41)11-17-10-16(2-7-21(17)32)14-38-28(43)29(8-9-29)30(35,36)37;30-17-2-4-18(5-3-17)38-26(41)19-11-21-22(12-23(19)43-14-24(32)33)40-25(39-21)10-16-9-15(1-6-20(16)31)13-37-27(42)28(7-8-28)29(34,35)36;1-40-23-13-22-21(12-19(23)25(38)35-18-5-3-17(29)4-6-18)36-24(37-22)11-16-10-15(2-7-20(16)30)14-34-26(39)27(8-9-27)28(31,32)33;28-18-4-3-15(12-35-25(39)26(5-6-26)27(31,32)33)7-16(18)8-23-36-19-9-17(24(38)34-11-14-1-2-14)21(10-20(19)37-23)40-13-22(29)30;1-31-17-10-18(34-2)14(20(28)32)9-16(17)30-19(31)8-13-7-12(3-4-15(13)24)11-29-21(33)22(5-6-22)23(25,26)27/h2-7,10,12-13,25H,8-9,11,14-15H2,1H3,(H,38,43)(H,39,42);1-6,9,11-12,24H,7-8,10,13-14H2,(H,37,42)(H,38,41)(H,39,40);2-7,10,12-13H,8-9,11,14H2,1H3,(H,34,39)(H,35,38)(H,36,37);3-4,7,9-10,14,22H,1-2,5-6,8,11-13H2,(H,34,38)(H,35,39)(H,36,37);3-4,7,9-10H,5-6,8,11H2,1-2H3,(H2,28,32)(H,29,33).
What are the key properties of N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide?
N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide has a molecular weight of 3085.06 g/mol, XLogP of 30.57, 46 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-2-[[2-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-N-(cyclopropylmethyl)-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-methoxy-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 164996136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).