C91H64Cl5F12N19O5 — CID 160500984
N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 160500984) has the molecular formula C91H64Cl5F12N19O5 and a molecular weight of 1908.88 g/mol. Its IUPAC name is N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
| Compound Name | N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
|---|---|
| PubChem CID | 160500984 |
| Molecular Formula | C91H64Cl5F12N19O5 |
| Molecular Weight | 1908.88 g/mol |
| Exact Mass | 1905.36 |
| IUPAC Name | N-[3-(6-acetyl-1H-benzimidazol-2-yl)-4-chlorophenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;N-[4-chloro-3-(6-pyrrol-1-yl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide |
| SMILES | CC(=O)c1ccc2nc(-c3cc(NC(=O)c4ccc(C(F)(F)F)nc4C)ccc3Cl)[nH]c2c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(N(C)C)ncc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(-n4cccc4)cc3[nH]2)c1.Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(Cl)cc3[nH]2)c1 |
| InChI | InChI=1S/C25H17ClF3N5O.C23H16ClF3N4O2.C22H18ClF3N6O.C21H13Cl2F3N4O/c1-14-17(6-9-22(30-14)25(27,28)29)24(35)31-15-4-7-19(26)18(12-15)23-32-20-8-5-16(13-21(20)33-23)34-10-2-3-11-34;1-11-15(5-8-20(28-11)23(25,26)27)22(33)29-14-4-6-17(24)16(10-14)21-30-18-7-3-13(12(2)32)9-19(18)31-21;1-11-13(5-7-18(28-11)22(24,25)26)21(33)29-12-4-6-15(23)14(8-12)20-30-16-9-19(32(2)3)27-10-17(16)31-20;1-10-13(4-7-18(27-10)21(24,25)26)20(31)28-12-3-5-15(23)14(9-12)19-29-16-6-2-11(22)8-17(16)30-19/h2-13H,1H3,(H,31,35)(H,32,33);3-10H,1-2H3,(H,29,33)(H,30,31);4-10H,1-3H3,(H,29,33)(H,30,31);2-9H,1H3,(H,28,31)(H,29,30) |
| InChIKey | QRTVHCIBPHJKNA-UHFFFAOYSA-N |
| XLogP | 24.54 |
| TPSA | 320.81 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 132 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1908.88 |
| LogP ≤ 5 | 24.54 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 16 |