C136H128F7N15O13 — CID 158500844
N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 158500844) has the molecular formula C136H128F7N15O13 and a molecular weight of 2313.60 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
| Compound Name | N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide |
|---|---|
| PubChem CID | 158500844 |
| Molecular Formula | C136H128F7N15O13 |
| Molecular Weight | 2313.60 g/mol |
| Exact Mass | 2311.97 |
| IUPAC Name | N-(4-acetylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide;5-[3-cyclohexyl-5-(4-methylphenyl)imidazol-4-yl]-N-(4-fluorophenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide |
| SMILES | CC(=O)c1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1.COc1cc(NC(=O)c2ccc(-c3c(-c4ccc(C)cc4)ncn3C3CCCCC3)o2)cc(OC)c1.Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)Nc3ccc(F)cc3)o2)cc1.Cc1ccc(-c2ncn(C3CCCCC3)c2-c2ccc(C(=O)Nc3ccccc3F)o2)cc1.O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 |
| InChI | InChI=1S/C29H31N3O4.C27H24FN3O3.2C27H26FN3O2.C26H21F4N3O2/c1-19-9-11-20(12-10-19)27-28(32(18-30-27)22-7-5-4-6-8-22)25-13-14-26(36-25)29(33)31-21-15-23(34-2)17-24(16-21)35-3;1-17(32)18-8-12-21(13-9-18)30-27(33)24-15-14-23(34-24)26-25(19-6-10-20(28)11-7-19)29-16-31(26)22-4-2-3-5-22;1-18-11-13-19(14-12-18)25-26(31(17-29-25)20-7-3-2-4-8-20)23-15-16-24(33-23)27(32)30-22-10-6-5-9-21(22)28;1-18-7-9-19(10-8-18)25-26(31(17-29-25)22-5-3-2-4-6-22)23-15-16-24(33-23)27(32)30-21-13-11-20(28)12-14-21;27-17-11-9-16(10-12-17)23-24(33(15-31-23)18-5-1-2-6-18)21-13-14-22(35-21)25(34)32-20-8-4-3-7-19(20)26(28,29)30/h9-18,22H,4-8H2,1-3H3,(H,31,33);6-16,22H,2-5H2,1H3,(H,30,33);5-6,9-17,20H,2-4,7-8H2,1H3,(H,30,32);7-17,22H,2-6H2,1H3,(H,30,32);3-4,7-15,18H,1-2,5-6H2,(H,32,34) |
| InChIKey | HJWIQRNZQNECGQ-UHFFFAOYSA-N |
| XLogP | 34.78 |
| TPSA | 335.83 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2313.60 |
| LogP ≤ 5 | 34.78 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 23 |