C224H205Cl3FN35O17 — CID 158352362
2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 158352362) has the molecular formula C224H205Cl3FN35O17 and a molecular weight of 3784.69 g/mol. Its IUPAC name is 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide.
| Compound Name | 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 158352362 |
| Molecular Formula | C224H205Cl3FN35O17 |
| Molecular Weight | 3784.69 g/mol |
| Exact Mass | 3780.53 |
| IUPAC Name | 2-[4-(1-adamantylcarbamoyl)phenyl]-N-pyridin-3-yl-3H-benzimidazole-5-carboxamide;2-[4-(2-bicyclo[2.2.2]octanylcarbamoyl)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorophenyl)carbamoyl]phenyl]-N-cycloheptyl-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-[(3,4-dichlorophenyl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridin-2-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;N-cycloheptyl-2-[4-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide;2-[4-[(4-fluorophenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide;2-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide |
| SMILES | COc1ccc(NC(=O)c2ccc(-c3nc4ccc(C(=O)Nc5ccccc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.O=C(Nc1ccc(F)cc1)c1ccc(-c2nc3ccc(C(=O)Nc4ccccc4)cc3[nH]2)cc1.O=C(Nc1ccccc1)c1ccc2nc(-c3ccc(C(=O)NC4CC5CCC4CC5)cc3)[nH]c2c1.O=C(Nc1ccccn1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1.O=C(Nc1cccnc1)c1ccc2nc(-c3ccc(C(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2c1.O=C(Nc1ccncc1)c1ccc(-c2nc3ccc(C(=O)NC4CCCCCC4)cc3[nH]2)cc1 |
| InChI | InChI=1S/C30H29N5O2.C29H28N4O2.C28H26Cl2N4O2.C28H27ClN4O2.C28H22N4O3.C27H19FN4O2.2C27H27N5O2/c36-28(32-24-2-1-9-31-17-24)23-7-8-25-26(13-23)34-27(33-25)21-3-5-22(6-4-21)29(37)35-30-14-18-10-19(15-30)12-20(11-18)16-30;34-28(33-25-16-18-6-8-19(25)9-7-18)21-12-10-20(11-13-21)27-31-24-15-14-22(17-26(24)32-27)29(35)30-23-4-2-1-3-5-23;29-22-13-12-21(16-23(22)30)32-27(35)18-9-7-17(8-10-18)26-33-24-14-11-19(15-25(24)34-26)28(36)31-20-5-3-1-2-4-6-20;29-21-12-14-23(15-13-21)31-27(34)19-9-7-18(8-10-19)26-32-24-16-11-20(17-25(24)33-26)28(35)30-22-5-3-1-2-4-6-22;1-35-23-14-12-22(13-15-23)30-27(33)19-9-7-18(8-10-19)26-31-24-16-11-20(17-25(24)32-26)28(34)29-21-5-3-2-4-6-21;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;33-26(32-24-9-5-6-16-28-24)19-12-10-18(11-13-19)25-30-22-15-14-20(17-23(22)31-25)27(34)29-21-7-3-1-2-4-8-21;33-26(30-22-13-15-28-16-14-22)19-9-7-18(8-10-19)25-31-23-12-11-20(17-24(23)32-25)27(34)29-21-5-3-1-2-4-6-21/h1-9,13,17-20H,10-12,14-16H2,(H,32,36)(H,33,34)(H,35,37);1-5,10-15,17-19,25H,6-9,16H2,(H,30,35)(H,31,32)(H,33,34);7-16,20H,1-6H2,(H,31,36)(H,32,35)(H,33,34);7-17,22H,1-6H2,(H,30,35)(H,31,34)(H,32,33);2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);1-16H,(H,29,34)(H,30,33)(H,31,32);5-6,9-17,21H,1-4,7-8H2,(H,29,34)(H,30,31)(H,28,32,33);7-17,21H,1-6H2,(H,29,34)(H,31,32)(H,28,30,33) |
| InChIKey | GSLYHDJHHCCCTG-UHFFFAOYSA-N |
| XLogP | 47.47 |
| TPSA | 742.94 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 280 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3784.69 |
| LogP ≤ 5 | 47.47 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 28 |