C199H154Cl3N29O21S — CID 157136505
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide;N-[4-[6-[(4-chlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methoxybenzamide;2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[4-[6-[(4-isocyanobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methoxy-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 157136505) has the molecular formula C199H154Cl3N29O21S and a molecular weight of 3426.03 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;2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[4-[6-[(4-isocyanobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methoxy-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
| 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;2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[4-[6-[(4-isocyanobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methoxy-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide |
|---|---|
| PubChem CID | 157136505 |
| Molecular Formula | C199H154Cl3N29O21S |
| Molecular Weight | 3426.03 g/mol |
| Exact Mass | 3422.07 |
| 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;2,6-dichloro-N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]benzamide;N-[4-[6-[(4-isocyanobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]-4-methylbenzamide;N-[2-[4-[(4-methoxybenzoyl)amino]phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide;4-methoxy-N-[4-[6-[(4-methoxybenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide;4-methoxy-N-[4-[6-[(2-phenylcyclopropanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide |
| SMILES | COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)C5CC5c5ccccc5)cc4[nH]3)cc2)cc1.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5c(Cl)cccc5Cl)cc4[nH]3)cc2)cc1.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(Cl)cc5)cc4[nH]3)cc2)cc1.COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(NC(=O)c5ccc(OC)cc5)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)c5ccsc5)cc4[nH]3)cc2)cc1.[C-]#[N+]c1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccc(C)cc5)cc4)[nH]c3c2)cc1 |
| InChI | InChI=1S/C31H26N4O3.C29H21N5O2.C29H24N4O4.C28H20Cl2N4O3.C28H21ClN4O3.C28H22N4O3.C26H20N4O3S/c1-38-24-14-9-21(10-15-24)30(36)32-22-11-7-20(8-12-22)29-34-27-16-13-23(17-28(27)35-29)33-31(37)26-18-25(26)19-5-3-2-4-6-19;1-18-3-5-20(6-4-18)28(35)31-23-13-7-19(8-14-23)27-33-25-16-15-24(17-26(25)34-27)32-29(36)21-9-11-22(30-2)12-10-21;1-36-23-12-5-19(6-13-23)28(34)30-21-9-3-18(4-10-21)27-32-25-16-11-22(17-26(25)33-27)31-29(35)20-7-14-24(37-2)15-8-20;1-37-20-12-7-17(8-13-20)27(35)31-18-9-5-16(6-10-18)26-33-23-14-11-19(15-24(23)34-26)32-28(36)25-21(29)3-2-4-22(25)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;1-33-21-9-4-17(5-10-21)25(31)27-19-6-2-16(3-7-19)24-29-22-11-8-20(14-23(22)30-24)28-26(32)18-12-13-34-15-18/h2-17,25-26H,18H2,1H3,(H,32,36)(H,33,37)(H,34,35);3-17H,1H3,(H,31,35)(H,32,36)(H,33,34);3-17H,1-2H3,(H,30,34)(H,31,35)(H,32,33);2-15H,1H3,(H,31,35)(H,32,36)(H,33,34);2-16H,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) |
| InChIKey | AJRKEPHOFASPTC-UHFFFAOYSA-N |
| XLogP | 43.57 |
| TPSA | 677.13 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 253 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3426.03 |
| LogP ≤ 5 | 43.57 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|