N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide

C95H111BrCl3F5N8O9 — CID 165101490

IUPACN-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC1CCC(CC(=O)c2cc3nc(Cc4cc(CNC(=O)C(C)(C)C)ccc4Cl)n(C)c3cc2OCC(F)(F)F)CC1.CCOc1cc2c(cc1C(=O)Cc1ccc(Br)cc1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1Cl)n2CC(F)F.COc1ccc(CNC(=O)C(C)(C)C)cc1CC1=Nc2cc(C(=O)CC3CCC(C)CC3)c(Cl)cc2C1
InChIInChI=1S/C32H33BrClF2N3O3.C32H39ClF3N3O3.C31H39ClN2O3/c1-5-42-28-16-26-25(15-23(28)27(40)13-19-6-9-22(33)10-7-19)38-30(39(26)18-29(35)36)14-21-12-20(8-11-24(21)34)17-37-31(41)32(2,3)4;1-19-6-8-20(9-7-19)13-27(40)23-15-25-26(16-28(23)42-18-32(34,35)36)39(5)29(38-25)14-22-12-21(10-11-24(22)33)17-37-30(41)31(2,3)4;1-19-6-8-20(9-7-19)13-28(35)25-17-27-22(16-26(25)32)14-24(34-27)15-23-12-21(10-11-29(23)37-5)18-33-30(36)31(2,3)4/h6-12,15-16,29H,5,13-14,17-18H2,1-4H3,(H,37,41);10-12,15-16,19-20H,6-9,13-14,17-18H2,1-5H3,(H,37,41);10-12,16-17,19-20H,6-9,13-15,18H2,1-5H3,(H,33,36)
InChIKeyYKDNIUBGQGYWPN-UHFFFAOYSA-N
MW1790.23 g/mol
LogP22.90
Rot. Bonds28

About N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide

N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 165101490) has the molecular formula C95H111BrCl3F5N8O9 and a molecular weight of 1790.23 g/mol. Its IUPAC name is N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID165101490
Molecular FormulaC95H111BrCl3F5N8O9
Molecular Weight1790.23 g/mol
Exact Mass1786.66
IUPAC NameN-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide
SMILESCC1CCC(CC(=O)c2cc3nc(Cc4cc(CNC(=O)C(C)(C)C)ccc4Cl)n(C)c3cc2OCC(F)(F)F)CC1.CCOc1cc2c(cc1C(=O)Cc1ccc(Br)cc1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1Cl)n2CC(F)F.COc1ccc(CNC(=O)C(C)(C)C)cc1CC1=Nc2cc(C(=O)CC3CCC(C)CC3)c(Cl)cc2C1
InChIInChI=1S/C32H33BrClF2N3O3.C32H39ClF3N3O3.C31H39ClN2O3/c1-5-42-28-16-26-25(15-23(28)27(40)13-19-6-9-22(33)10-7-19)38-30(39(26)18-29(35)36)14-21-12-20(8-11-24(21)34)17-37-31(41)32(2,3)4;1-19-6-8-20(9-7-19)13-27(40)23-15-25-26(16-28(23)42-18-32(34,35)36)39(5)29(38-25)14-22-12-21(10-11-24(22)33)17-37-30(41)31(2,3)4;1-19-6-8-20(9-7-19)13-28(35)25-17-27-22(16-26(25)32)14-24(34-27)15-23-12-21(10-11-29(23)37-5)18-33-30(36)31(2,3)4/h6-12,15-16,29H,5,13-14,17-18H2,1-4H3,(H,37,41);10-12,15-16,19-20H,6-9,13-14,17-18H2,1-5H3,(H,37,41);10-12,16-17,19-20H,6-9,13-15,18H2,1-5H3,(H,33,36)
InChIKeyYKDNIUBGQGYWPN-UHFFFAOYSA-N
XLogP22.90
TPSA214.20 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001790.23
LogP ≤ 522.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[[4-chloro-3-[[5-(3-cyclobutylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 147162369
2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-6-ethoxy-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide
CID 149476720
N-(4-bromophenyl)-2-[[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]phenyl]methyl]-6-ethoxy-1-methylbenzimidazole-5-carboxamide
CID 161002577
N-(4-bromophenyl)-2-[[5-[(tert-butylsulfinylamino)methyl]-2-chlorophenyl]methyl]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 158546499
N-(4-bromophenyl)-2-[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-(2,2-difluoroethyl)benzimidazole-5-carboxamide
CID 59529815
2-[2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-(2,2-difluoroethyl)benzimidazole-5-carboxylic acid
CID 123723505
N-(4-bromophenyl)-2-[2-chloro-5-[(2,2-difluoropropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methylbenzimidazole-5-carboxamide
CID 46908544
N-(4-bromophenyl)-6-(2,2-difluoroethoxy)-1-(2,2-difluoroethyl)-2-[5-[(2,2-dimethylpropanoylamino)methyl]-2-(trifluoromethyl)anilino]benzimidazole-5-carboxamide
CID 137477284
2-[6-chloro-3-[(2,2-dimethylpropanoylamino)methyl]-2-fluoroanilino]-6-(2,2-difluoroethoxy)-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 56839528
2-[6-chloro-3-[(2,2-dimethylpropanoylamino)methyl]-2-fluoroanilino]-6-(2,2-difluoroethoxy)-N-[4-(difluoromethyl)cyclohexyl]-1-methylbenzimidazole-5-carboxamide
CID 88865644
2-[[2,6-dichloro-3-[[(3-hydroxy-2,2-dimethylpropanoyl)amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 159613854
N-[[4-chloro-3-[[5-chloro-1-methyl-6-(3-methylpiperidin-1-yl)benzimidazol-2-yl]methyl]phenyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 146797395

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide (CID 165101490) is N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide is CC1CCC(CC(=O)c2cc3nc(Cc4cc(CNC(=O)C(C)(C)C)ccc4Cl)n(C)c3cc2OCC(F)(F)F)CC1.CCOc1cc2c(cc1C(=O)Cc1ccc(Br)cc1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1Cl)n2CC(F)F.COc1ccc(CNC(=O)C(C)(C)C)cc1CC1=Nc2cc(C(=O)CC3CCC(C)CC3)c(Cl)cc2C1.
What is the InChIKey of N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is YKDNIUBGQGYWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33BrClF2N3O3.C32H39ClF3N3O3.C31H39ClN2O3/c1-5-42-28-16-26-25(15-23(28)27(40)13-19-6-9-22(33)10-7-19)38-30(39(26)18-29(35)36)14-21-12-20(8-11-24(21)34)17-37-31(41)32(2,3)4;1-19-6-8-20(9-7-19)13-27(40)23-15-25-26(16-28(23)42-18-32(34,35)36)39(5)29(38-25)14-22-12-21(10-11-24(22)33)17-37-30(41)31(2,3)4;1-19-6-8-20(9-7-19)13-28(35)25-17-27-22(16-26(25)32)14-24(34-27)15-23-12-21(10-11-29(23)37-5)18-33-30(36)31(2,3)4/h6-12,15-16,29H,5,13-14,17-18H2,1-4H3,(H,37,41);10-12,15-16,19-20H,6-9,13-14,17-18H2,1-5H3,(H,37,41);10-12,16-17,19-20H,6-9,13-15,18H2,1-5H3,(H,33,36).
What are the key properties of N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide?
N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 1790.23 g/mol, XLogP of 22.90, 28 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[5-[2-(4-bromophenyl)acetyl]-1-(2,2-difluoroethyl)-6-ethoxybenzimidazol-2-yl]methyl]-4-chlorophenyl]methyl]-2,2-dimethylpropanamide;N-[[3-[[5-chloro-6-[2-(4-methylcyclohexyl)acetyl]-3H-indol-2-yl]methyl]-4-methoxyphenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[1-methyl-5-[2-(4-methylcyclohexyl)acetyl]-6-(2,2,2-trifluoroethoxy)benzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 165101490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).