N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide

C122H128Cl5F13N14O12 — CID 164977106

IUPACN-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2cc3nc(Cc4cc(CNC(=O)C5(C(F)(F)F)CC5)c(F)cc4Cl)n(C)c3cc2OCC(F)F)CC1.CCOc1cc2c(cc1C(=O)CCC1CC1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1Cl)n2C.CCOc1cc2c(cc1C(=O)Cc1ccc(F)c(Cl)c1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1Cl)n2C.Cc1ccc(NC(=O)c2cc3nc(Cc4cc(CNC(=O)C5(C(F)(F)F)CC5)c(F)cc4Cl)n(C)c3cc2OCC(F)F)cc1
InChIInChI=1S/C31H32Cl2FN3O3.C31H33ClF6N4O3.C31H27ClF6N4O3.C29H36ClN3O3/c1-6-40-28-16-26-25(15-21(28)27(38)13-18-8-10-24(34)23(33)12-18)36-29(37(26)5)14-20-11-19(7-9-22(20)32)17-35-30(39)31(2,3)4;2*1-16-3-5-19(6-4-16)40-28(43)20-11-23-24(13-25(20)45-15-26(34)35)42(2)27(41-23)10-17-9-18(22(33)12-21(17)32)14-39-29(44)30(7-8-30)31(36,37)38;1-6-36-26-16-24-23(15-21(26)25(34)12-10-18-7-8-18)32-27(33(24)5)14-20-13-19(9-11-22(20)30)17-31-28(35)29(2,3)4/h7-12,15-16H,6,13-14,17H2,1-5H3,(H,35,39);9,11-13,16,19,26H,3-8,10,14-15H2,1-2H3,(H,39,44)(H,40,43);3-6,9,11-13,26H,7-8,10,14-15H2,1-2H3,(H,39,44)(H,40,43);9,11,13,15-16,18H,6-8,10,12,14,17H2,1-5H3,(H,31,35)
InChIKeyDYDNEDRVEFPENP-UHFFFAOYSA-N
MW2406.69 g/mol
LogP27.34
Rot. Bonds39

About N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide

N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide (PubChem CID 164977106) has the molecular formula C122H128Cl5F13N14O12 and a molecular weight of 2406.69 g/mol. Its IUPAC name is N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide
PubChem CID164977106
Molecular FormulaC122H128Cl5F13N14O12
Molecular Weight2406.69 g/mol
Exact Mass2402.81
IUPAC NameN-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide
SMILESCC1CCC(NC(=O)c2cc3nc(Cc4cc(CNC(=O)C5(C(F)(F)F)CC5)c(F)cc4Cl)n(C)c3cc2OCC(F)F)CC1.CCOc1cc2c(cc1C(=O)CCC1CC1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1Cl)n2C.CCOc1cc2c(cc1C(=O)Cc1ccc(F)c(Cl)c1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1Cl)n2C.Cc1ccc(NC(=O)c2cc3nc(Cc4cc(CNC(=O)C5(C(F)(F)F)CC5)c(F)cc4Cl)n(C)c3cc2OCC(F)F)cc1
InChIInChI=1S/C31H32Cl2FN3O3.C31H33ClF6N4O3.C31H27ClF6N4O3.C29H36ClN3O3/c1-6-40-28-16-26-25(15-21(28)27(38)13-18-8-10-24(34)23(33)12-18)36-29(37(26)5)14-20-11-19(7-9-22(20)32)17-35-30(39)31(2,3)4;2*1-16-3-5-19(6-4-16)40-28(43)20-11-23-24(13-25(20)45-15-26(34)35)42(2)27(41-23)10-17-9-18(22(33)12-21(17)32)14-39-29(44)30(7-8-30)31(36,37)38;1-6-36-26-16-24-23(15-21(26)25(34)12-10-18-7-8-18)32-27(33(24)5)14-20-13-19(9-11-22(20)30)17-31-28(35)29(2,3)4/h7-12,15-16H,6,13-14,17H2,1-5H3,(H,35,39);9,11-13,16,19,26H,3-8,10,14-15H2,1-2H3,(H,39,44)(H,40,43);3-6,9,11-13,26H,7-8,10,14-15H2,1-2H3,(H,39,44)(H,40,43);9,11,13,15-16,18H,6-8,10,12,14,17H2,1-5H3,(H,31,35)
InChIKeyDYDNEDRVEFPENP-UHFFFAOYSA-N
XLogP27.34
TPSA316.94 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002406.69
LogP ≤ 527.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide (CID 164977106) is N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide is CC1CCC(NC(=O)c2cc3nc(Cc4cc(CNC(=O)C5(C(F)(F)F)CC5)c(F)cc4Cl)n(C)c3cc2OCC(F)F)CC1.CCOc1cc2c(cc1C(=O)CCC1CC1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1Cl)n2C.CCOc1cc2c(cc1C(=O)Cc1ccc(F)c(Cl)c1)nc(Cc1cc(CNC(=O)C(C)(C)C)ccc1Cl)n2C.Cc1ccc(NC(=O)c2cc3nc(Cc4cc(CNC(=O)C5(C(F)(F)F)CC5)c(F)cc4Cl)n(C)c3cc2OCC(F)F)cc1.
What is the InChIKey of N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide?
The InChIKey is DYDNEDRVEFPENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Cl2FN3O3.C31H33ClF6N4O3.C31H27ClF6N4O3.C29H36ClN3O3/c1-6-40-28-16-26-25(15-21(28)27(38)13-18-8-10-24(34)23(33)12-18)36-29(37(26)5)14-20-11-19(7-9-22(20)32)17-35-30(39)31(2,3)4;2*1-16-3-5-19(6-4-16)40-28(43)20-11-23-24(13-25(20)45-15-26(34)35)42(2)27(41-23)10-17-9-18(22(33)12-21(17)32)14-39-29(44)30(7-8-30)31(36,37)38;1-6-36-26-16-24-23(15-21(26)25(34)12-10-18-7-8-18)32-27(33(24)5)14-20-13-19(9-11-22(20)30)17-31-28(35)29(2,3)4/h7-12,15-16H,6,13-14,17H2,1-5H3,(H,35,39);9,11-13,16,19,26H,3-8,10,14-15H2,1-2H3,(H,39,44)(H,40,43);3-6,9,11-13,26H,7-8,10,14-15H2,1-2H3,(H,39,44)(H,40,43);9,11,13,15-16,18H,6-8,10,12,14,17H2,1-5H3,(H,31,35).
What are the key properties of N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide?
N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide has a molecular weight of 2406.69 g/mol, XLogP of 27.34, 39 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-[[5-[2-(3-chloro-4-fluorophenyl)acetyl]-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;N-[[4-chloro-3-[[5-(3-cyclopropylpropanoyl)-6-ethoxy-1-methylbenzimidazol-2-yl]methyl]phenyl]methyl]-2,2-dimethylpropanamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylcyclohexyl)benzimidazole-5-carboxamide;2-[[2-chloro-4-fluoro-5-[[[1-(trifluoromethyl)cyclopropanecarbonyl]amino]methyl]phenyl]methyl]-6-(2,2-difluoroethoxy)-1-methyl-N-(4-methylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 164977106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).