C140H106Cl5N21O12 — CID 158419621
N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;3,5-dichloro-N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide (PubChem CID 158419621) has the molecular formula C140H106Cl5N21O12 and a molecular weight of 2451.79 g/mol. Its IUPAC name is N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;3,5-dichloro-N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide.
| Compound Name | N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;3,5-dichloro-N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158419621 |
| Molecular Formula | C140H106Cl5N21O12 |
| Molecular Weight | 2451.79 g/mol |
| Exact Mass | 2447.68 |
| IUPAC Name | N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;3,5-dichloro-N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[2-[4-[(4-methylbenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]pyridine-3-carboxamide |
| SMILES | COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5Cl)cc4[nH]3)cc2)cc1.COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc(C)cc5)cc4)[nH]c3c2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cc(Cl)cc(Cl)c5)cc4[nH]3)cc2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4[nH]3)cc2)cc1.Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccnc5)cc4[nH]3)cc2)cc1 |
| InChI | InChI=1S/C29H24N4O3.C28H20Cl2N4O3.C28H20Cl2N4O2.C28H21ClN4O2.C27H21N5O2/c1-18-3-5-20(6-4-18)28(34)30-22-11-7-19(8-12-22)27-32-25-16-13-23(17-26(25)33-27)31-29(35)21-9-14-24(36-2)15-10-21;1-37-21-10-4-17(5-11-21)27(35)31-19-7-2-16(3-8-19)26-33-24-13-9-20(15-25(24)34-26)32-28(36)22-12-6-18(29)14-23(22)30;1-16-2-4-18(5-3-16)27(35)31-22-8-6-17(7-9-22)26-33-24-11-10-23(15-25(24)34-26)32-28(36)19-12-20(29)14-21(30)13-19;1-17-2-4-19(5-3-17)27(34)30-22-12-8-18(9-13-22)26-32-24-15-14-23(16-25(24)33-26)31-28(35)20-6-10-21(29)11-7-20;1-17-4-6-19(7-5-17)26(33)29-21-10-8-18(9-11-21)25-31-23-13-12-22(15-24(23)32-25)30-27(34)20-3-2-14-28-16-20/h3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);2-15H,1H3,(H,31,35)(H,32,36)(H,33,34);2-15H,1H3,(H,31,35)(H,32,36)(H,33,34);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2-16H,1H3,(H,29,33)(H,30,34)(H,31,32) |
| InChIKey | HAIGWWPXXGZACG-UHFFFAOYSA-N |
| XLogP | 32.59 |
| TPSA | 465.75 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 178 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2451.79 |
| LogP ≤ 5 | 32.59 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 18 |