C96H76F8N30O5 — CID 159508021
1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile (PubChem CID 159508021) has the molecular formula C96H76F8N30O5 and a molecular weight of 1881.85 g/mol. Its IUPAC name is 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile.
| Compound Name | 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile |
|---|---|
| PubChem CID | 159508021 |
| Molecular Formula | C96H76F8N30O5 |
| Molecular Weight | 1881.85 g/mol |
| Exact Mass | 1880.65 |
| IUPAC Name | 1-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-N-methylbenzimidazol-2-amine;4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazol-2-amine;1-[6-[4-(trifluoromethoxy)anilino]pyrazin-2-yl]benzimidazole-2-carbonitrile |
| SMILES | CNC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccccc43)n2)cc1.CNc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.CNc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(N)=O)cc2)n1.N#Cc1nc2ccccc2n1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1 |
| InChI | InChI=1S/C20H18N6O.C19H15F3N6O.C19H11F3N6O.C19H16F2N6O.C19H16N6O/c1-13-23-16-5-3-4-6-17(16)26(13)19-12-22-11-18(25-19)24-15-9-7-14(8-10-15)20(27)21-2;1-23-18-26-14-4-2-3-5-15(14)28(18)17-11-24-10-16(27-17)25-12-6-8-13(9-7-12)29-19(20,21)22;20-19(21,22)29-13-7-5-12(6-8-13)25-16-10-24-11-18(27-16)28-15-4-2-1-3-14(15)26-17(28)9-23;1-22-19-25-14-4-2-3-5-15(14)27(19)17-11-23-10-16(26-17)24-12-6-8-13(9-7-12)28-18(20)21;1-12-22-15-4-2-3-5-16(15)25(12)18-11-21-10-17(24-18)23-14-8-6-13(7-9-14)19(20)26/h3-12H,1-2H3,(H,21,27)(H,24,25);2-11H,1H3,(H,23,26)(H,25,27);1-8,10-11H,(H,25,27);2-11,18H,1H3,(H,22,25)(H,24,26);2-11H,1H3,(H2,20,26)(H,23,24) |
| InChIKey | MAFYQPHRFZYNCZ-UHFFFAOYSA-N |
| XLogP | 19.22 |
| TPSA | 425.88 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 139 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1881.85 |
| LogP ≤ 5 | 19.22 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 33 |