C135H99Cl6FN20O11 — CID 158055134
2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 158055134) has the molecular formula C135H99Cl6FN20O11 and a molecular weight of 2409.12 g/mol. Its IUPAC name is 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide.
| Compound Name | 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide |
|---|---|
| PubChem CID | 158055134 |
| Molecular Formula | C135H99Cl6FN20O11 |
| Molecular Weight | 2409.12 g/mol |
| Exact Mass | 2404.59 |
| IUPAC Name | 2-(4-benzamidophenyl)-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;2-[4-[(4-chlorobenzoyl)amino]phenyl]-N-(4-chlorophenyl)-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-fluorobenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide;N-(4-chlorophenyl)-2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazole-5-carboxamide |
| SMILES | COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C(=O)Nc5ccc(Cl)cc5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccc(Cl)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccc(F)cc1.O=C(Nc1ccc(-c2nc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccccc1.O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccc(NC(=O)C4CCCC4)cc3)[nH]c2c1 |
| InChI | InChI=1S/C28H21ClN4O3.C27H18Cl2N4O2.C27H18ClFN4O2.C27H19ClN4O2.C26H23ClN4O2/c1-36-23-13-4-18(5-14-23)27(34)30-21-9-2-17(3-10-21)26-32-24-15-6-19(16-25(24)33-26)28(35)31-22-11-7-20(29)8-12-22;28-19-6-1-17(2-7-19)26(34)30-21-10-3-16(4-11-21)25-32-23-14-5-18(15-24(23)33-25)27(35)31-22-12-8-20(29)9-13-22;28-19-6-12-22(13-7-19)31-27(35)18-5-14-23-24(15-18)33-25(32-23)16-3-10-21(11-4-16)30-26(34)17-1-8-20(29)9-2-17;28-20-9-13-22(14-10-20)30-27(34)19-8-15-23-24(16-19)32-25(31-23)17-6-11-21(12-7-17)29-26(33)18-4-2-1-3-5-18;27-19-8-12-21(13-9-19)29-26(33)18-7-14-22-23(15-18)31-24(30-22)16-5-10-20(11-6-16)28-25(32)17-3-1-2-4-17/h2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2*1-15H,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);5-15,17H,1-4H2,(H,28,32)(H,29,33)(H,30,31) |
| InChIKey | FJYMUHYVZTZSNF-UHFFFAOYSA-N |
| XLogP | 32.62 |
| TPSA | 443.63 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2409.12 |
| LogP ≤ 5 | 32.62 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 16 |