C101H76F13N21O4 — CID 159370900
N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyridin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine (PubChem CID 159370900) has the molecular formula C101H76F13N21O4 and a molecular weight of 1894.84 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyridin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine.
| Compound Name | N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyridin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine |
|---|---|
| PubChem CID | 159370900 |
| Molecular Formula | C101H76F13N21O4 |
| Molecular Weight | 1894.84 g/mol |
| Exact Mass | 1893.62 |
| IUPAC Name | N-[4-(difluoromethoxy)phenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)pyridin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methoxyphenyl)pyridin-2-amine;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyridin-2-amine;2-(6-fluoro-2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]pyridin-2-amine |
| SMILES | COc1ccc(Nc2cccc(-n3c(C)nc4ccc(F)cc43)n2)cc1.Cc1ccc(Nc2cccc(-n3c(C)nc4ccc(F)cc43)n2)cc1.Cc1nc2ccc(F)cc2n1-c1cc(C#N)cc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1cccc(Nc2ccc(OC(F)(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1cccc(Nc2ccc(OC(F)F)cc2)n1 |
| InChI | InChI=1S/C21H13F4N5O.C20H14F4N4O.C20H15F3N4O.C20H17FN4O.C20H17FN4/c1-12-27-17-7-2-14(22)10-18(17)30(12)20-9-13(11-26)8-19(29-20)28-15-3-5-16(6-4-15)31-21(23,24)25;1-12-25-16-10-5-13(21)11-17(16)28(12)19-4-2-3-18(27-19)26-14-6-8-15(9-7-14)29-20(22,23)24;1-12-24-16-10-5-13(21)11-17(16)27(12)19-4-2-3-18(26-19)25-14-6-8-15(9-7-14)28-20(22)23;1-13-22-17-11-6-14(21)12-18(17)25(13)20-5-3-4-19(24-20)23-15-7-9-16(26-2)10-8-15;1-13-6-9-16(10-7-13)23-19-4-3-5-20(24-19)25-14(2)22-17-11-8-15(21)12-18(17)25/h2-10H,1H3,(H,28,29);2-11H,1H3,(H,26,27);2-11,20H,1H3,(H,25,26);3-12H,1-2H3,(H,23,24);3-12H,1-2H3,(H,23,24) |
| InChIKey | LJSQXPMYXTXVEY-UHFFFAOYSA-N |
| XLogP | 25.65 |
| TPSA | 274.41 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 139 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1894.84 |
| LogP ≤ 5 | 25.65 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 25 |