C108H98F7N11O11 — CID 159711870
2-(4-acetylphenyl)-1-[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]ethanone;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-ethylphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide (PubChem CID 159711870) has the molecular formula C108H98F7N11O11 and a molecular weight of 1859.02 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-1-[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]ethanone;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-ethylphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide.
| Compound Name | 2-(4-acetylphenyl)-1-[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]ethanone;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-ethylphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide |
|---|---|
| PubChem CID | 159711870 |
| Molecular Formula | C108H98F7N11O11 |
| Molecular Weight | 1859.02 g/mol |
| Exact Mass | 1857.73 |
| IUPAC Name | 2-(4-acetylphenyl)-1-[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]ethanone;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-ethylphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[2-(trifluoromethyl)phenyl]furan-2-carboxamide |
| SMILES | CC(=O)c1ccc(CC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1.CCc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1.COc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1OC.O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1 |
| InChI | InChI=1S/C28H25FN2O3.C27H26FN3O4.C27H26FN3O2.C26H21F4N3O2/c1-18(32)20-8-6-19(7-9-20)16-24(33)25-14-15-26(34-25)28-27(21-10-12-22(29)13-11-21)30-17-31(28)23-4-2-3-5-23;1-33-21-12-11-19(15-24(21)34-2)30-27(32)23-14-13-22(35-23)26-25(17-7-9-18(28)10-8-17)29-16-31(26)20-5-3-4-6-20;1-2-18-6-5-7-21(16-18)30-27(32)24-15-14-23(33-24)26-25(19-10-12-20(28)13-11-19)29-17-31(26)22-8-3-4-9-22;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/h6-15,17,23H,2-5,16H2,1H3;7-16,20H,3-6H2,1-2H3,(H,30,32);5-7,10-17,22H,2-4,8-9H2,1H3,(H,30,32);3-4,7-15,18H,1-2,5-6H2,(H,32,34) |
| InChIKey | MYYBIOCTUOXFTI-UHFFFAOYSA-N |
| XLogP | 27.24 |
| TPSA | 263.74 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 137 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1859.02 |
| LogP ≤ 5 | 27.24 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 19 |