C162H108Cl3F10N25O13 — CID 160835480
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-chlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]pyridine-3-carboxamide;2,3,4,5,6-pentafluoro-N-[4-[6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 160835480) has the molecular formula C162H108Cl3F10N25O13 and a molecular weight of 2909.15 g/mol. Its IUPAC name is N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-chlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]pyridine-3-carboxamide;2,3,4,5,6-pentafluoro-N-[4-[6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide.
| Compound Name | N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-chlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]pyridine-3-carboxamide;2,3,4,5,6-pentafluoro-N-[4-[6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide |
|---|---|
| PubChem CID | 160835480 |
| Molecular Formula | C162H108Cl3F10N25O13 |
| Molecular Weight | 2909.15 g/mol |
| Exact Mass | 2905.75 |
| IUPAC Name | N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]benzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-chlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide;N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]pyridine-3-carboxamide;2,3,4,5,6-pentafluoro-N-[4-[6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide |
| SMILES | COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(NC(=O)c5ccccc5)cc4)[nH]c3c2)cc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3[nH]2)cc1)c1c(F)c(F)c(F)c(F)c1F.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3[nH]2)cc1)c1ccccc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3[nH]2)cc1)c1ccccc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3[nH]2)cc1)c1ccccc1.O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccnc4)cc3[nH]2)cc1)c1ccccc1 |
| InChI | InChI=1S/C28H22N4O3.C27H18Cl2N4O2.C27H19ClN4O2.C27H10F10N4O2.C27H20N4O2.C26H19N5O2/c1-35-23-14-9-20(10-15-23)28(34)30-22-13-16-24-25(17-22)32-26(31-24)18-7-11-21(12-8-18)29-27(33)19-5-3-2-4-6-19;28-19-12-18(13-20(29)14-19)27(35)31-22-10-11-23-24(15-22)33-25(32-23)16-6-8-21(9-7-16)30-26(34)17-4-2-1-3-5-17;28-20-10-6-19(7-11-20)27(34)30-22-14-15-23-24(16-22)32-25(31-23)17-8-12-21(13-9-17)29-26(33)18-4-2-1-3-5-18;28-15-13(16(29)20(33)23(36)19(15)32)26(42)38-9-3-1-8(2-4-9)25-40-11-6-5-10(7-12(11)41-25)39-27(43)14-17(30)21(34)24(37)22(35)18(14)31;32-26(19-7-3-1-4-8-19)28-21-13-11-18(12-14-21)25-30-23-16-15-22(17-24(23)31-25)29-27(33)20-9-5-2-6-10-20;32-25(18-5-2-1-3-6-18)28-20-10-8-17(9-11-20)24-30-22-13-12-21(15-23(22)31-24)29-26(33)19-7-4-14-27-16-19/h2-17H,1H3,(H,29,33)(H,30,34)(H,31,32);1-15H,(H,30,34)(H,31,35)(H,32,33);1-16H,(H,29,33)(H,30,34)(H,31,32);1-7H,(H,38,42)(H,39,43)(H,40,41);1-17H,(H,28,32)(H,29,33)(H,30,31);1-16H,(H,28,32)(H,29,33)(H,30,31) |
| InChIKey | SHIVOPHTQMEQKE-UHFFFAOYSA-N |
| XLogP | 37.16 |
| TPSA | 543.40 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 213 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2909.15 |
| LogP ≤ 5 | 37.16 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'} |
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