C122H128Cl5F13N14O12 — CID 164977106
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.
| Compound Name | 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 |
| Molecular Formula | C122H128Cl5F13N14O12 |
| Molecular Weight | 2406.69 g/mol |
| Exact Mass | 2402.81 |
| IUPAC Name | 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 |
| SMILES | 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 |
| InChI | 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) |
| InChIKey | DYDNEDRVEFPENP-UHFFFAOYSA-N |
| XLogP | 27.34 |
| TPSA | 316.94 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2406.69 |
| LogP ≤ 5 | 27.34 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 20 |