C121H129ClF2N18O9 — CID 161398818
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 161398818) has the molecular formula C121H129ClF2N18O9 and a molecular weight of 2052.93 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one.
| Compound Name | 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one |
|---|---|
| PubChem CID | 161398818 |
| Molecular Formula | C121H129ClF2N18O9 |
| Molecular Weight | 2052.93 g/mol |
| Exact Mass | 2050.98 |
| IUPAC Name | 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one |
| SMILES | CCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.CN1C(=O)C(c2ccccc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)COc2ccc(F)cc2)CC1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O |
| InChI | InChI=1S/C29H29FN4O3.C25H42N4O2.C24H23N3O2.C22H18ClN3O.C21H17FN4O/c30-24-11-13-25(14-12-24)37-20-26(35)33-17-15-21(16-18-33)19-34-27(36)29(32-28(34)31,22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-24-27-25(19-21-11-5-2-6-12-21,15-14-20-9-3-1-4-10-20)23(31)29(24)18-8-17-28-16-7-13-22(28)30;1-3-29-21-14-8-10-18(16-21)17-9-7-13-20(15-17)24(19-11-5-4-6-12-19)22(28)27(2)23(25)26-24;1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16;1-26-19(27)21(25-20(26)23,15-7-3-2-4-8-15)16-9-10-18(22)17(12-16)14-6-5-11-24-13-14/h1-14,21H,15-20H2,(H2,31,32);20-21H,1-19H2,(H2,26,27);4-16H,3H2,1-2H3,(H2,25,26);2-14H,1H3,(H2,24,25);2-13H,1H3,(H2,23,25)/t;25-;;;/m.1.../s1 |
| InChIKey | VTYPGUZVJNEQGF-QRBMIFAXSA-N |
| XLogP | 18.51 |
| TPSA | 365.42 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 151 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2052.93 |
| LogP ≤ 5 | 18.51 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 20 |