C103H102ClF3N20O5 — CID 158811812
1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 158811812) has the molecular formula C103H102ClF3N20O5 and a molecular weight of 1792.53 g/mol. Its IUPAC name is 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea.
| Compound Name | 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea |
|---|---|
| PubChem CID | 158811812 |
| Molecular Formula | C103H102ClF3N20O5 |
| Molecular Weight | 1792.53 g/mol |
| Exact Mass | 1790.80 |
| IUPAC Name | 1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-chlorophenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methoxyphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-(4-methylphenyl)urea;1-[3-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea |
| SMILES | CC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)c2)c(-c2ccncc2)[nH]1.CC(C)(C)c1nc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)c(-c2ccncc2)[nH]1.COc1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1.Cc1ccc(NC(=O)Nc2cccc(-c3nc(C(C)(C)C)[nH]c3-c3ccncc3)c2)cc1 |
| InChI | InChI=1S/C26H24F3N5O.C26H27N5O2.C26H27N5O.C25H24ClN5O/c1-25(2,3)23-33-21(16-11-13-30-14-12-16)22(34-23)17-5-4-6-20(15-17)32-24(35)31-19-9-7-18(8-10-19)26(27,28)29;1-26(2,3)24-30-22(17-12-14-27-15-13-17)23(31-24)18-6-5-7-20(16-18)29-25(32)28-19-8-10-21(33-4)11-9-19;1-17-8-10-20(11-9-17)28-25(32)29-21-7-5-6-19(16-21)23-22(18-12-14-27-15-13-18)30-24(31-23)26(2,3)4;1-25(2,3)23-30-21(16-11-13-27-14-12-16)22(31-23)17-5-4-6-20(15-17)29-24(32)28-19-9-7-18(26)8-10-19/h4-15H,1-3H3,(H,33,34)(H2,31,32,35);5-16H,1-4H3,(H,30,31)(H2,28,29,32);5-16H,1-4H3,(H,30,31)(H2,28,29,32);4-15H,1-3H3,(H,30,31)(H2,28,29,32) |
| InChIKey | IUUCSZGGWKKMGZ-UHFFFAOYSA-N |
| XLogP | 26.31 |
| TPSA | 340.03 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 132 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1792.53 |
| LogP ≤ 5 | 26.31 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 13 |