C105H96ClF4N13O10 — CID 157241361
N-(4-acetamidophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide (PubChem CID 157241361) has the molecular formula C105H96ClF4N13O10 and a molecular weight of 1811.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide.
| Compound Name | N-(4-acetamidophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide |
|---|---|
| PubChem CID | 157241361 |
| Molecular Formula | C105H96ClF4N13O10 |
| Molecular Weight | 1811.45 g/mol |
| Exact Mass | 1809.70 |
| IUPAC Name | N-(4-acetamidophenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;N-(3-chloro-4-methoxyphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-methylphenyl)furan-2-carboxamide |
| SMILES | CC(=O)Nc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1.COc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1Cl.Cc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1.Cc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1 |
| InChI | InChI=1S/C27H25FN4O3.C26H23ClFN3O3.2C26H24FN3O2/c1-17(33)30-20-10-12-21(13-11-20)31-27(34)24-15-14-23(35-24)26-25(18-6-8-19(28)9-7-18)29-16-32(26)22-4-2-3-5-22;1-33-21-11-10-18(14-20(21)27)30-26(32)23-13-12-22(34-23)25-24(16-6-8-17(28)9-7-16)29-15-31(25)19-4-2-3-5-19;1-17-5-4-6-20(15-17)29-26(31)23-14-13-22(32-23)25-24(18-9-11-19(27)12-10-18)28-16-30(25)21-7-2-3-8-21;1-17-6-12-20(13-7-17)29-26(31)23-15-14-22(32-23)25-24(18-8-10-19(27)11-9-18)28-16-30(25)21-4-2-3-5-21/h6-16,22H,2-5H2,1H3,(H,30,33)(H,31,34);6-15,19H,2-5H2,1H3,(H,30,32);4-6,9-16,21H,2-3,7-8H2,1H3,(H,29,31);6-16,21H,2-5H2,1H3,(H,29,31) |
| InChIKey | AVGHAEYFPWLPID-UHFFFAOYSA-N |
| XLogP | 26.50 |
| TPSA | 278.57 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 133 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1811.45 |
| LogP ≤ 5 | 26.50 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 18 |