C106H139ClF4N20O9 — CID 162086154
3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one (PubChem CID 162086154) has the molecular formula C106H139ClF4N20O9 and a molecular weight of 1948.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one.
| Compound Name | 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one |
|---|---|
| PubChem CID | 162086154 |
| Molecular Formula | C106H139ClF4N20O9 |
| Molecular Weight | 1948.85 g/mol |
| Exact Mass | 1947.07 |
| IUPAC Name | 3-(3-chlorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;3-(3-fluorophenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;methane;3-(3-methoxyphenyl)-4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)imidazol-2-one;4-[2-[(4-methylcyclohexyl)amino]pyrimidin-4-yl]-1-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazol-2-one |
| SMILES | C.C.C.C.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(C(F)(F)F)c3)n2)CC1.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(Cl)c3)n2)CC1.CC1CCC(Nc2nccc(-c3cn(C4CCOCC4)c(=O)n3-c3cccc(F)c3)n2)CC1.COc1cccc(-n2c(-c3ccnc(NC4CCC(C)CC4)n3)cn(C3CCOCC3)c2=O)c1 |
| InChI | InChI=1S/C26H30F3N5O2.C26H33N5O3.C25H30ClN5O2.C25H30FN5O2.4CH4/c1-17-5-7-19(8-6-17)31-24-30-12-9-22(32-24)23-16-33(20-10-13-36-14-11-20)25(35)34(23)21-4-2-3-18(15-21)26(27,28)29;1-18-6-8-19(9-7-18)28-25-27-13-10-23(29-25)24-17-30(20-11-14-34-15-12-20)26(32)31(24)21-4-3-5-22(16-21)33-2;2*1-17-5-7-19(8-6-17)28-24-27-12-9-22(29-24)23-16-30(20-10-13-33-14-11-20)25(32)31(23)21-4-2-3-18(26)15-21;;;;/h2-4,9,12,15-17,19-20H,5-8,10-11,13-14H2,1H3,(H,30,31,32);3-5,10,13,16-20H,6-9,11-12,14-15H2,1-2H3,(H,27,28,29);2*2-4,9,12,15-17,19-20H,5-8,10-11,13-14H2,1H3,(H,27,28,29);4*1H4 |
| InChIKey | ZCZGDWBBKSGLBM-UHFFFAOYSA-N |
| XLogP | 22.12 |
| TPSA | 305.11 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 140 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1948.85 |
| LogP ≤ 5 | 22.12 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 29 |