C181H161Cl5F7N33O9 — CID 158515616
N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-2-carboxamide;N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide;N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;3,4-dichloro-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 158515616) has the molecular formula C181H161Cl5F7N33O9 and a molecular weight of 3252.75 g/mol. Its IUPAC name is N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-2-carboxamide;N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide;N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;3,4-dichloro-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide.
| Compound Name | N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-2-carboxamide;N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide;N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;3,4-dichloro-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide |
|---|---|
| PubChem CID | 158515616 |
| Molecular Formula | C181H161Cl5F7N33O9 |
| Molecular Weight | 3252.75 g/mol |
| Exact Mass | 3248.15 |
| IUPAC Name | N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-2-carboxamide;N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide;N-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;3,4-dichloro-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide;N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]cyclohexanecarboxamide |
| SMILES | Cc1cc2nc(-c3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2cc1C.Nc1ccc2nc(-c3ccc(NC(=O)c4ccccn4)cc3)[nH]c2c1.Nc1ccc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)[nH]c2c1.Nc1ccc2nc(-c3ccc(NC(=O)c4ccncc4)cc3)[nH]c2c1.O=C(Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.O=C(Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1)C1CCCCC1.O=C(Nc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1)C1CCCCC1 |
| InChI | InChI=1S/C22H25N3O.C21H12Cl2F3N3O.C21H20F3N3O.C20H19Cl2N3O.C20H20ClN3O.C20H20FN3O.3C19H15N5O/c1-14-12-19-20(13-15(14)2)25-21(24-19)16-8-10-18(11-9-16)23-22(26)17-6-4-3-5-7-17;22-15-7-3-12(9-16(15)23)20(30)27-14-5-1-11(2-6-14)19-28-17-8-4-13(21(24,25)26)10-18(17)29-19;22-21(23,24)15-8-11-17-18(12-15)27-19(26-17)13-6-9-16(10-7-13)25-20(28)14-4-2-1-3-5-14;21-15-10-17-18(11-16(15)22)25-19(24-17)12-6-8-14(9-7-12)23-20(26)13-4-2-1-3-5-13;2*21-15-8-11-17-18(12-15)24-19(23-17)13-6-9-16(10-7-13)22-20(25)14-4-2-1-3-5-14;20-14-3-6-16-17(11-14)24-18(23-16)12-1-4-15(5-2-12)22-19(25)13-7-9-21-10-8-13;20-14-5-8-16-17(10-14)24-18(23-16)12-3-6-15(7-4-12)22-19(25)13-2-1-9-21-11-13;20-13-6-9-15-17(11-13)24-18(23-15)12-4-7-14(8-5-12)22-19(25)16-3-1-2-10-21-16/h8-13,17H,3-7H2,1-2H3,(H,23,26)(H,24,25);1-10H,(H,27,30)(H,28,29);6-12,14H,1-5H2,(H,25,28)(H,26,27);6-11,13H,1-5H2,(H,23,26)(H,24,25);2*6-12,14H,1-5H2,(H,22,25)(H,23,24);3*1-11H,20H2,(H,22,25)(H,23,24) |
| InChIKey | HLOYSFLZXZWPBJ-UHFFFAOYSA-N |
| XLogP | 44.66 |
| TPSA | 636.75 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 235 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3252.75 |
| LogP ≤ 5 | 44.66 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
|---|