C135H135ClFN21O10 — CID 157133077
2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 157133077) has the molecular formula C135H135ClFN21O10 and a molecular weight of 2266.15 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide.
| Compound Name | 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 157133077 |
| Molecular Formula | C135H135ClFN21O10 |
| Molecular Weight | 2266.15 g/mol |
| Exact Mass | 2264.04 |
| IUPAC Name | 2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cyclohexyl-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cyclohexyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide |
| SMILES | CC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CCCCC5)cc4[nH]3)cc2)CC1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCC4)cc3[nH]2)cc1 |
| InChI | InChI=1S/C28H34N4O2.C27H25ClN4O2.C27H25FN4O2.C27H26N4O2.C26H25N5O2/c1-18-7-14-23(15-8-18)30-27(33)20-11-9-19(10-12-20)26-31-24-16-13-21(17-25(24)32-26)28(34)29-22-5-3-2-4-6-22;2*28-20-11-13-22(14-12-20)30-26(33)18-8-6-17(7-9-18)25-31-23-15-10-19(16-24(23)32-25)27(34)29-21-4-2-1-3-5-21;32-26(28-21-7-3-1-4-8-21)19-13-11-18(12-14-19)25-30-23-16-15-20(17-24(23)31-25)27(33)29-22-9-5-2-6-10-22;32-25(29-21-12-14-27-15-13-21)18-8-6-17(7-9-18)24-30-22-11-10-19(16-23(22)31-24)26(33)28-20-4-2-1-3-5-20/h9-13,16-18,22-23H,2-8,14-15H2,1H3,(H,29,34)(H,30,33)(H,31,32);2*6-16,21H,1-5H2,(H,29,34)(H,30,33)(H,31,32);1,3-4,7-8,11-17,22H,2,5-6,9-10H2,(H,28,32)(H,29,33)(H,30,31);6-16,20H,1-5H2,(H,28,33)(H,30,31)(H,27,29,32) |
| InChIKey | AJHKSPFTEHXFMS-UHFFFAOYSA-N |
| XLogP | 27.97 |
| TPSA | 447.29 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2266.15 |
| LogP ≤ 5 | 27.97 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 16 |