C135H100Cl4N20O14S2 — CID 159948063
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide (PubChem CID 159948063) has the molecular formula C135H100Cl4N20O14S2 and a molecular weight of 2432.36 g/mol. Its IUPAC name is N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide.
| Compound Name | N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide |
|---|---|
| PubChem CID | 159948063 |
| Molecular Formula | C135H100Cl4N20O14S2 |
| Molecular Weight | 2432.36 g/mol |
| Exact Mass | 2428.59 |
| IUPAC Name | N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide;N-[2-[4-[(4-chlorobenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide;2,4-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide |
| SMILES | COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4[nH]3)cc2)cc1.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5Cl)cc4[nH]3)cc2)cc1.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccccc5)cc4[nH]3)cc2)cc1.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5cccs5)cc4[nH]3)cc2)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C28H20Cl2N4O3.C28H21ClN4O3.C28H22N4O3.C26H20N4O3S.C25H17ClN4O2S/c1-37-21-10-4-17(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;1-36-23-13-6-19(7-14-23)27(34)30-21-10-4-17(5-11-21)26-32-24-15-12-22(16-25(24)33-26)31-28(35)18-2-8-20(29)9-3-18;1-35-23-14-9-20(10-15-23)28(34)29-21-11-7-18(8-12-21)26-31-24-16-13-22(17-25(24)32-26)30-27(33)19-5-3-2-4-6-19;1-33-20-11-6-17(7-12-20)25(31)27-18-8-4-16(5-9-18)24-29-21-13-10-19(15-22(21)30-24)28-26(32)23-3-2-14-34-23;26-17-7-3-16(4-8-17)24(31)27-18-9-5-15(6-10-18)23-29-20-12-11-19(14-21(20)30-23)28-25(32)22-2-1-13-33-22/h2-15H,1H3,(H,31,35)(H,32,36)(H,33,34);2-16H,1H3,(H,30,34)(H,31,35)(H,32,33);2-17H,1H3,(H,29,34)(H,30,33)(H,31,32);2-15H,1H3,(H,27,31)(H,28,32)(H,29,30);1-14H,(H,27,31)(H,28,32)(H,29,30) |
| InChIKey | OBSYYXXUZQEHOU-UHFFFAOYSA-N |
| XLogP | 31.44 |
| TPSA | 471.32 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2432.36 |
| LogP ≤ 5 | 31.44 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 21 |