C80H66F16N22O — CID 160640972
2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 160640972) has the molecular formula C80H66F16N22O and a molecular weight of 1655.53 g/mol. Its IUPAC name is 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine.
| Compound Name | 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine |
|---|---|
| PubChem CID | 160640972 |
| Molecular Formula | C80H66F16N22O |
| Molecular Weight | 1655.53 g/mol |
| Exact Mass | 1654.55 |
| IUPAC Name | 2-amino-3-tert-butyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-cyclobutyl-6-methylbenzimidazole-5-carbonitrile;2-amino-3-(5-fluoro-2-pyridinyl)benzimidazole-5-carbonitrile;1-cyclobutyl-7-fluoro-5-(trifluoromethyl)benzimidazol-2-amine;1-(3,5-difluorophenyl)-6-(trifluoromethyl)benzimidazol-2-amine;1-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)benzimidazol-2-amine |
| SMILES | Cc1cc2nc(N)n(C(C)(C)C)c2cc1C#N.Cc1cc2nc(N)n(C3CCC3)c2cc1C#N.N#Cc1ccc2nc(N)n(-c3ccc(F)cn3)c2c1.Nc1nc2cc(C(F)(F)F)cc(F)c2n1C1CCC1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1cc(F)cc(F)c1.Nc1nc2ccc(C(F)(F)F)cc2n1-c1ccc(OC(F)(F)F)cc1 |
| InChI | InChI=1S/C15H9F6N3O.C14H8F5N3.C13H8FN5.C13H14N4.C13H16N4.C12H11F4N3/c16-14(17,18)8-1-6-11-12(7-8)24(13(22)23-11)9-2-4-10(5-3-9)25-15(19,20)21;15-8-4-9(16)6-10(5-8)22-12-3-7(14(17,18)19)1-2-11(12)21-13(22)20;14-9-2-4-12(17-7-9)19-11-5-8(6-15)1-3-10(11)18-13(19)16;1-8-5-11-12(6-9(8)7-14)17(13(15)16-11)10-3-2-4-10;1-8-5-10-11(6-9(8)7-14)17(12(15)16-10)13(2,3)4;13-8-4-6(12(14,15)16)5-9-10(8)19(11(17)18-9)7-2-1-3-7/h1-7H,(H2,22,23);1-6H,(H2,20,21);1-5,7H,(H2,16,18);5-6,10H,2-4H2,1H3,(H2,15,16);5-6H,1-4H3,(H2,15,16);4-5,7H,1-3H2,(H2,17,18) |
| InChIKey | RJDZYLXZDKPESA-UHFFFAOYSA-N |
| XLogP | 19.02 |
| TPSA | 356.53 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 119 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1655.53 |
| LogP ≤ 5 | 19.02 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 23 |