C103H98ClF7N20O5 — CID 158445648
1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 158445648) has the molecular formula C103H98ClF7N20O5 and a molecular weight of 1864.49 g/mol. Its IUPAC name is 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea.
| Compound Name | 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea |
|---|---|
| PubChem CID | 158445648 |
| Molecular Formula | C103H98ClF7N20O5 |
| Molecular Weight | 1864.49 g/mol |
| Exact Mass | 1862.76 |
| IUPAC Name | 1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-chlorophenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methoxyphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-(4-methylphenyl)urea;1-[5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]urea |
| SMILES | CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2ccc(F)c(NC(=O)Nc3ccc(Cl)cc3)c2)c(-c2ccncc2)[nH]1.COc1ccc(NC(=O)Nc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)ccc2F)cc1.Cc1ccc(NC(=O)Nc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)ccc2F)cc1 |
| InChI | InChI=1S/C26H23F4N5O.C26H26FN5O2.C26H26FN5O.C25H23ClFN5O/c1-25(2,3)23-34-21(15-10-12-31-13-11-15)22(35-23)16-4-9-19(27)20(14-16)33-24(36)32-18-7-5-17(6-8-18)26(28,29)30;1-26(2,3)24-31-22(16-11-13-28-14-12-16)23(32-24)17-5-10-20(27)21(15-17)30-25(33)29-18-6-8-19(34-4)9-7-18;1-16-5-8-19(9-6-16)29-25(33)30-21-15-18(7-10-20(21)27)23-22(17-11-13-28-14-12-17)31-24(32-23)26(2,3)4;1-25(2,3)23-31-21(15-10-12-28-13-11-15)22(32-23)16-4-9-19(27)20(14-16)30-24(33)29-18-7-5-17(26)6-8-18/h4-14H,1-3H3,(H,34,35)(H2,32,33,36);5-15H,1-4H3,(H,31,32)(H2,29,30,33);5-15H,1-4H3,(H,31,32)(H2,29,30,33);4-14H,1-3H3,(H,31,32)(H2,29,30,33) |
| InChIKey | HDIYQBKINJCLFC-UHFFFAOYSA-N |
| XLogP | 26.87 |
| TPSA | 340.03 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1864.49 |
| LogP ≤ 5 | 26.87 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 13 |