C229H244ClFN32O17 — CID 158139597
2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide (PubChem CID 158139597) has the molecular formula C229H244ClFN32O17 and a molecular weight of 3771.13 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide.
| Compound Name | 2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 158139597 |
| Molecular Formula | C229H244ClFN32O17 |
| Molecular Weight | 3771.13 g/mol |
| Exact Mass | 3767.89 |
| IUPAC Name | 2-[4-(2-bicyclo[2.2.1]heptanylcarbamoyl)phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(2-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-[(4-methylcyclohexyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-(2-bicyclo[2.2.1]heptanyl)-2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-(4-methylcyclohexyl)-3H-benzimidazole-5-carboxamide |
| SMILES | CC1CCC(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CC6CCC5C6)cc4[nH]3)cc2)CC1.CC1CCC(NC(=O)c2ccc3nc(-c4ccc(C(=O)NC5CC6CCC5C6)cc4)[nH]c3c2)CC1.CC1CCC(NC(=O)c2ccc3nc(-c4ccc(C(=O)Nc5ccc(F)cc5)cc4)[nH]c3c2)CC1.CC1CCCCC1NC(=O)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1.COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)NC5CCC(C)CC5)cc4[nH]3)cc2)cc1.O=C(NC1CCCCCC1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc(-c2nc3ccc(C(=O)NC4CC5CCC4C5)cc3[nH]2)cc1 |
| InChI | InChI=1S/C29H30N4O3.4C29H34N4O2.C28H25ClN4O2.C28H27FN4O2.C28H26N4O2/c1-18-3-10-22(11-4-18)31-29(35)21-9-16-25-26(17-21)33-27(32-25)19-5-7-20(8-6-19)28(34)30-23-12-14-24(36-2)15-13-23;1-17-2-11-23(12-3-17)30-29(35)22-10-13-24-26(16-22)32-27(31-24)19-6-8-20(9-7-19)28(34)33-25-15-18-4-5-21(25)14-18;1-17-2-11-23(12-3-17)30-28(34)20-8-6-19(7-9-20)27-31-24-13-10-22(16-26(24)32-27)29(35)33-25-15-18-4-5-21(25)14-18;1-17-4-2-3-5-23(17)32-28(34)20-10-8-19(9-11-20)27-30-24-13-12-22(16-26(24)31-27)29(35)33-25-15-18-6-7-21(25)14-18;34-28(30-23-5-3-1-2-4-6-23)20-11-9-19(10-12-20)27-31-24-14-13-22(17-26(24)32-27)29(35)33-25-16-18-7-8-21(25)15-18;29-21-8-10-22(11-9-21)30-27(34)18-5-3-17(4-6-18)26-31-23-12-7-20(15-25(23)32-26)28(35)33-24-14-16-1-2-19(24)13-16;1-17-2-11-22(12-3-17)31-28(35)20-8-15-24-25(16-20)33-26(32-24)18-4-6-19(7-5-18)27(34)30-23-13-9-21(29)10-14-23;33-27(29-22-4-2-1-3-5-22)19-10-8-18(9-11-19)26-30-23-13-12-21(16-25(23)31-26)28(34)32-24-15-17-6-7-20(24)14-17/h5-9,12-18,22H,3-4,10-11H2,1-2H3,(H,30,34)(H,31,35)(H,32,33);6-10,13,16-18,21,23,25H,2-5,11-12,14-15H2,1H3,(H,30,35)(H,31,32)(H,33,34);6-10,13,16-18,21,23,25H,2-5,11-12,14-15H2,1H3,(H,30,34)(H,31,32)(H,33,35);8-13,16-18,21,23,25H,2-7,14-15H2,1H3,(H,30,31)(H,32,34)(H,33,35);9-14,17-18,21,23,25H,1-8,15-16H2,(H,30,34)(H,31,32)(H,33,35);3-12,15-16,19,24H,1-2,13-14H2,(H,30,34)(H,31,32)(H,33,35);4-10,13-17,22H,2-3,11-12H2,1H3,(H,30,34)(H,31,35)(H,32,33);1-5,8-13,16-17,20,24H,6-7,14-15H2,(H,29,33)(H,30,31)(H,32,34) |
| InChIKey | FTTUPUFHFWKKEQ-UHFFFAOYSA-N |
| XLogP | 45.15 |
| TPSA | 704.27 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 280 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3771.13 |
| LogP ≤ 5 | 45.15 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 25 |