N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide

C140H134Br3Cl6F13N20O11 — CID 164995190

IUPACN-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(CC2=Nc3cc(C(=O)N4CCC(F)(F)C4)c(Cl)cc3C2)c1.CN1CCCC1CCNC(=O)c1ccc2c(c1)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C.Cn1c(Cc2cc(CNC(=O)C(C)(C)C)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)ccc21.Cn1c(Cc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc21.O=C(Nc1ccc(Br)cc1)c1ccc2nc(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C30H25BrClF5N4O3.C29H33ClF3N5O2.C28H28BrClN4O2.C27H21BrClF3N4O2.C26H27Cl2F2N3O2/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;1-37-13-3-4-21(37)9-12-34-26(39)19-6-8-24-23(15-19)36-25(38(24)2)16-20-14-18(5-7-22(20)30)17-35-27(40)28(10-11-28)29(31,32)33;1-28(2,3)27(36)31-16-17-5-11-22(30)19(13-17)15-25-33-23-14-18(6-12-24(23)34(25)4)26(35)32-21-9-7-20(29)8-10-21;28-18-3-5-19(6-4-18)34-24(37)16-2-8-21-22(12-16)36-23(35-21)13-17-11-15(1-7-20(17)29)14-33-25(38)26(9-10-26)27(30,31)32;1-25(2,3)24(35)31-13-15-4-5-20(27)16(8-15)9-18-10-17-11-21(28)19(12-22(17)32-18)23(34)33-7-6-26(29,30)14-33/h2-7,10,12-13,25H,8-9,11,14-15H2,1H3,(H,38,43)(H,39,42);5-8,14-15,21H,3-4,9-13,16-17H2,1-2H3,(H,34,39)(H,35,40);5-14H,15-16H2,1-4H3,(H,31,36)(H,32,35);1-8,11-12H,9-10,13-14H2,(H,33,38)(H,34,37)(H,35,36);4-5,8,11-12H,6-7,9-10,13-14H2,1-3H3,(H,31,35)
InChIKeyHLKXRUVRDVODGC-UHFFFAOYSA-N
MW2972.14 g/mol
LogP31.71
Rot. Bonds37

About N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide

N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide (PubChem CID 164995190) has the molecular formula C140H134Br3Cl6F13N20O11 and a molecular weight of 2972.14 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide
PubChem CID164995190
Molecular FormulaC140H134Br3Cl6F13N20O11
Molecular Weight2972.14 g/mol
Exact Mass2964.60
IUPAC NameN-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide
SMILESCC(C)(C)C(=O)NCc1ccc(Cl)c(CC2=Nc3cc(C(=O)N4CCC(F)(F)C4)c(Cl)cc3C2)c1.CN1CCCC1CCNC(=O)c1ccc2c(c1)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C.Cn1c(Cc2cc(CNC(=O)C(C)(C)C)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)ccc21.Cn1c(Cc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc21.O=C(Nc1ccc(Br)cc1)c1ccc2nc(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)[nH]c2c1
InChIInChI=1S/C30H25BrClF5N4O3.C29H33ClF3N5O2.C28H28BrClN4O2.C27H21BrClF3N4O2.C26H27Cl2F2N3O2/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;1-37-13-3-4-21(37)9-12-34-26(39)19-6-8-24-23(15-19)36-25(38(24)2)16-20-14-18(5-7-22(20)30)17-35-27(40)28(10-11-28)29(31,32)33;1-28(2,3)27(36)31-16-17-5-11-22(30)19(13-17)15-25-33-23-14-18(6-12-24(23)34(25)4)26(35)32-21-9-7-20(29)8-10-21;28-18-3-5-19(6-4-18)34-24(37)16-2-8-21-22(12-16)36-23(35-21)13-17-11-15(1-7-20(17)29)14-33-25(38)26(9-10-26)27(30,31)32;1-25(2,3)24(35)31-13-15-4-5-20(27)16(8-15)9-18-10-17-11-21(28)19(12-22(17)32-18)23(34)33-7-6-26(29,30)14-33/h2-7,10,12-13,25H,8-9,11,14-15H2,1H3,(H,38,43)(H,39,42);5-8,14-15,21H,3-4,9-13,16-17H2,1-2H3,(H,34,39)(H,35,40);5-14H,15-16H2,1-4H3,(H,31,36)(H,32,35);1-8,11-12H,9-10,13-14H2,(H,33,38)(H,34,37)(H,35,36);4-5,8,11-12H,6-7,9-10,13-14H2,1-3H3,(H,31,35)
InChIKeyHLKXRUVRDVODGC-UHFFFAOYSA-N
XLogP31.71
TPSA389.18 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002972.14
LogP ≤ 531.71
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide with MolForge

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Related Compounds

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
N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 157150340
CID 158546496
CID 158546496
N-(4-bromophenyl)-2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 158546498
CID 159017994
CID 159017994
N-(4-bromophenyl)-2-[[2-chloro-5-[[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 159356142
3-bromo-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;5-chloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-propylbenzamide;5-chloro-N-[(6-fluoro-3-propyl-1H-benzimidazol-3-ium-2-yl)methyl]-2-methoxy-N-prop-2-enylbenzamide;2,5-dichloro-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propylbenzamide;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-propyl-3-(trifluoromethyl)benzamide;3-fluoro-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 159523762
N-(4-bromophenyl)-2-[[2-chloro-4-fluoro-5-[[(1-methylcyclopropanecarbonyl)amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 159686170
CID 161983578
CID 161983578
N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-3H-benzimidazole-5-carboxamide
CID 162104480
N-[[4-chloro-3-[[6-(2-fluoroethoxy)-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;N-[[3-[[5-ethoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[6-ethoxy-1-methyl-5-[2-(4-methylcyclohexyl)acetyl]benzimidazol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide;1-hydroxy-N-[[3-[[5-methoxy-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 164948361

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide (CID 164995190) is N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide is CC(C)(C)C(=O)NCc1ccc(Cl)c(CC2=Nc3cc(C(=O)N4CCC(F)(F)C4)c(Cl)cc3C2)c1.CN1CCCC1CCNC(=O)c1ccc2c(c1)nc(Cc1cc(CNC(=O)C3(C(F)(F)F)CC3)ccc1Cl)n2C.Cn1c(Cc2cc(CNC(=O)C(C)(C)C)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)ccc21.Cn1c(Cc2cc(CNC(=O)C3(C(F)(F)F)CC3)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)c(OCC(F)F)cc21.O=C(Nc1ccc(Br)cc1)c1ccc2nc(Cc3cc(CNC(=O)C4(C(F)(F)F)CC4)ccc3Cl)[nH]c2c1.
What is the InChIKey of N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide?
The InChIKey is HLKXRUVRDVODGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25BrClF5N4O3.C29H33ClF3N5O2.C28H28BrClN4O2.C27H21BrClF3N4O2.C26H27Cl2F2N3O2/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;1-37-13-3-4-21(37)9-12-34-26(39)19-6-8-24-23(15-19)36-25(38(24)2)16-20-14-18(5-7-22(20)30)17-35-27(40)28(10-11-28)29(31,32)33;1-28(2,3)27(36)31-16-17-5-11-22(30)19(13-17)15-25-33-23-14-18(6-12-24(23)34(25)4)26(35)32-21-9-7-20(29)8-10-21;28-18-3-5-19(6-4-18)34-24(37)16-2-8-21-22(12-16)36-23(35-21)13-17-11-15(1-7-20(17)29)14-33-25(38)26(9-10-26)27(30,31)32;1-25(2,3)24(35)31-13-15-4-5-20(27)16(8-15)9-18-10-17-11-21(28)19(12-22(17)32-18)23(34)33-7-6-26(29,30)14-33/h2-7,10,12-13,25H,8-9,11,14-15H2,1H3,(H,38,43)(H,39,42);5-8,14-15,21H,3-4,9-13,16-17H2,1-2H3,(H,34,39)(H,35,40);5-14H,15-16H2,1-4H3,(H,31,36)(H,32,35);1-8,11-12H,9-10,13-14H2,(H,33,38)(H,34,37)(H,35,36);4-5,8,11-12H,6-7,9-10,13-14H2,1-3H3,(H,31,35).
What are the key properties of N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide?
N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide has a molecular weight of 2972.14 g/mol, XLogP of 31.71, 37 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-1-methylbenzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-3H-benzimidazole-5-carboxamide;N-(4-bromophenyl)-2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide;N-[[4-chloro-3-[[5-chloro-6-(3,3-difluoropyrrolidine-1-carbonyl)-3H-indol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-1-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 164995190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).