C101H125BrF10N16O9 — CID 158414466
N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2-fluorophenyl)-3-hydroxybutanamide;N-[1-cyclobutyl-6-(1,3-difluoro-2-hydroxypropan-2-yl)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-methylpentanamide (PubChem CID 158414466) has the molecular formula C101H125BrF10N16O9 and a molecular weight of 1977.10 g/mol. Its IUPAC name is N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2-fluorophenyl)-3-hydroxybutanamide;N-[1-cyclobutyl-6-(1,3-difluoro-2-hydroxypropan-2-yl)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-methylpentanamide.
| Compound Name | N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2-fluorophenyl)-3-hydroxybutanamide;N-[1-cyclobutyl-6-(1,3-difluoro-2-hydroxypropan-2-yl)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-methylpentanamide |
|---|---|
| PubChem CID | 158414466 |
| Molecular Formula | C101H125BrF10N16O9 |
| Molecular Weight | 1977.10 g/mol |
| Exact Mass | 1974.88 |
| IUPAC Name | N-[6-bromo-1-cyclobutyl-4-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide;N-[6-cyano-5-fluoro-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(2-fluorophenyl)-3-hydroxybutanamide;N-[1-cyclobutyl-6-(1,3-difluoro-2-hydroxypropan-2-yl)-4-fluorobenzimidazol-2-yl]-3,3-dimethylbutanamide;N-(1-cyclobutyl-7-methoxybenzimidazol-2-yl)-3,3-dimethylbutanamide;N-[4-fluoro-6-(2-hydroxypropan-2-yl)-1-(1-methylcyclobutyl)benzimidazol-2-yl]-3-(fluoromethyl)-3-methylpentanamide |
| SMILES | CC(C)(C)CC(=O)Nc1nc2c(C(F)(F)F)cc(Br)cc2n1C1CCC1.CC(C)(C)CC(=O)Nc1nc2c(F)cc(C(O)(CF)CF)cc2n1C1CCC1.CC(O)(CC(=O)Nc1nc2cc(F)c(C#N)cc2n1C1(C)CCC1)c1ccccc1F.CCC(C)(CF)CC(=O)Nc1nc2c(F)cc(C(C)(C)O)cc2n1C1(C)CCC1.COc1cccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c12 |
| InChI | InChI=1S/C23H22F2N4O2.C22H31F2N3O2.C20H26F3N3O2.C18H21BrF3N3O.C18H25N3O2/c1-22(8-5-9-22)29-19-10-14(13-26)17(25)11-18(19)27-21(29)28-20(30)12-23(2,31)15-6-3-4-7-16(15)24;1-6-21(4,13-23)12-17(28)25-19-26-18-15(24)10-14(20(2,3)29)11-16(18)27(19)22(5)8-7-9-22;1-19(2,3)9-16(27)24-18-25-17-14(23)7-12(20(28,10-21)11-22)8-15(17)26(18)13-5-4-6-13;1-17(2,3)9-14(26)23-16-24-15-12(18(20,21)22)7-10(19)8-13(15)25(16)11-5-4-6-11;1-18(2,3)11-15(22)20-17-19-13-9-6-10-14(23-4)16(13)21(17)12-7-5-8-12/h3-4,6-7,10-11,31H,5,8-9,12H2,1-2H3,(H,27,28,30);10-11,29H,6-9,12-13H2,1-5H3,(H,25,26,28);7-8,13,28H,4-6,9-11H2,1-3H3,(H,24,25,27);7-8,11H,4-6,9H2,1-3H3,(H,23,24,26);6,9-10,12H,5,7-8,11H2,1-4H3,(H,19,20,22) |
| InChIKey | GZSFAOXAGOTEIR-UHFFFAOYSA-N |
| XLogP | 23.80 |
| TPSA | 328.31 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 137 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1977.10 |
| LogP ≤ 5 | 23.80 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 20 |