C109H118F9N21O10S — CID 162083786
2-amino-5-(4-amino-3-thiophen-2-ylcyclohexyl)-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-(3-cyclohexylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3-methylpyrrolidin-1-yl)phenyl]imidazol-4-one;2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[5-(pyrrolidin-1-ylmethyl)-1H-pyrrol-2-yl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-4-ylphenyl)imidazol-4-one (PubChem CID 162083786) has the molecular formula C109H118F9N21O10S and a molecular weight of 2085.33 g/mol. Its IUPAC name is 2-amino-5-(4-amino-3-thiophen-2-ylcyclohexyl)-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-(3-cyclohexylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3-methylpyrrolidin-1-yl)phenyl]imidazol-4-one;2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[5-(pyrrolidin-1-ylmethyl)-1H-pyrrol-2-yl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-4-ylphenyl)imidazol-4-one.
| Compound Name | 2-amino-5-(4-amino-3-thiophen-2-ylcyclohexyl)-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-(3-cyclohexylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3-methylpyrrolidin-1-yl)phenyl]imidazol-4-one;2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[5-(pyrrolidin-1-ylmethyl)-1H-pyrrol-2-yl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-4-ylphenyl)imidazol-4-one |
|---|---|
| PubChem CID | 162083786 |
| Molecular Formula | C109H118F9N21O10S |
| Molecular Weight | 2085.33 g/mol |
| Exact Mass | 2083.89 |
| IUPAC Name | 2-amino-5-(4-amino-3-thiophen-2-ylcyclohexyl)-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-(3-cyclohexylphenyl)-5-[4-(difluoromethoxy)phenyl]-3-methylimidazol-4-one;2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[3-(3-methylpyrrolidin-1-yl)phenyl]imidazol-4-one;2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-[5-(pyrrolidin-1-ylmethyl)-1H-pyrrol-2-yl]imidazol-4-one;2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(3-pyrimidin-4-ylphenyl)imidazol-4-one |
| SMILES | CC1CCN(c2cccc(C3(c4ccc(OC(F)F)cc4)N=C(N)N(C)C3=O)c2)C1.CN1C(=O)C(c2ccc(OC(F)F)cc2)(C2CCC(N)C(c3cccs3)C2)N=C1N.CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2ccc(CN3CCCC3)[nH]2)N=C1N.CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(C3CCCCC3)c2)N=C1N.Cc1cc(C2(c3cccc(-c4ccncn4)c3)N=C(N)N(C)C2=O)ccc1OC(C)F |
| InChI | InChI=1S/C23H25F2N3O2.C23H22FN5O2.C22H24F2N4O2.C21H24F2N4O2S.C20H23F2N5O2/c1-28-20(29)23(27-22(28)26,17-10-12-19(13-11-17)30-21(24)25)18-9-5-8-16(14-18)15-6-3-2-4-7-15;1-14-11-18(7-8-20(14)31-15(2)24)23(21(30)29(3)22(25)28-23)17-6-4-5-16(12-17)19-9-10-26-13-27-19;1-14-10-11-28(13-14)17-5-3-4-16(12-17)22(19(29)27(2)21(25)26-22)15-6-8-18(9-7-15)30-20(23)24;1-27-18(28)21(26-20(27)25,12-4-7-14(8-5-12)29-19(22)23)13-6-9-16(24)15(11-13)17-3-2-10-30-17;1-26-17(28)20(25-19(26)23,13-4-7-15(8-5-13)29-18(21)22)16-9-6-14(24-16)12-27-10-2-3-11-27/h5,8-15,21H,2-4,6-7H2,1H3,(H2,26,27);4-13,15H,1-3H3,(H2,25,28);3-9,12,14,20H,10-11,13H2,1-2H3,(H2,25,26);2-5,7-8,10,13,15-16,19H,6,9,11,24H2,1H3,(H2,25,26);4-9,18,24H,2-3,10-12H2,1H3,(H2,23,25) |
| InChIKey | ZCRNAYYPBKFTTO-UHFFFAOYSA-N |
| XLogP | 16.19 |
| TPSA | 413.67 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2085.33 |
| LogP ≤ 5 | 16.19 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 26 |