C121H144Cl2N22O7S — CID 162103531
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile (PubChem CID 162103531) has the molecular formula C121H144Cl2N22O7S and a molecular weight of 2121.60 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile.
| Compound Name | 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile |
|---|---|
| PubChem CID | 162103531 |
| Molecular Formula | C121H144Cl2N22O7S |
| Molecular Weight | 2121.60 g/mol |
| Exact Mass | 2119.07 |
| IUPAC Name | 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]imidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-pyridin-3-ylethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3R)-3-[(1-methylbenzimidazol-2-yl)amino]cyclohexyl]methyl]imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-cyanobenzamide;3-[5-(2-amino-4-cyclopropyl-1-methyl-5-oxoimidazol-4-yl)thiophen-3-yl]benzonitrile |
| SMILES | CC(C)C[C@H](CO)N1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)C(c2cc(-c3cccc(C#N)c3)cs2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccc(C#N)cc3)C2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](Nc3nc4ccccc4n3C)C2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCc1cccnc1 |
| InChI | InChI=1S/C27H40N6O.C27H37N5O2.C25H23ClN4O.C24H28ClN3O2.C18H16N4OS/c1-32-23-14-7-6-13-22(23)30-26(32)29-21-12-8-11-20(17-21)18-27(24(34)33(2)25(28)31-27)16-15-19-9-4-3-5-10-19;1-32-25(34)27(31-26(32)29,15-14-19-6-3-2-4-7-19)17-21-8-5-9-23(16-21)30-24(33)22-12-10-20(18-28)11-13-22;26-22-8-2-6-19(15-22)18-5-1-7-21(14-18)25(20-9-10-20)23(31)30(24(27)29-25)13-11-17-4-3-12-28-16-17;1-15(2)11-21(14-29)28-22(30)24(18-9-10-18,27-23(28)26)19-7-3-5-16(12-19)17-6-4-8-20(25)13-17;1-22-16(23)18(14-5-6-14,21-17(22)20)15-8-13(10-24-15)12-4-2-3-11(7-12)9-19/h6-7,13-14,19-21H,3-5,8-12,15-18H2,1-2H3,(H2,28,31)(H,29,30);10-13,19,21,23H,2-9,14-17H2,1H3,(H2,29,31)(H,30,33);1-8,12,14-16,20H,9-11,13H2,(H2,27,29);3-8,12-13,15,18,21,29H,9-11,14H2,1-2H3,(H2,26,27);2-4,7-8,10,14H,5-6H2,1H3,(H2,20,21)/t20-,21+,27+;21-,23+,27+;;21-,24?;/m00.1./s1 |
| InChIKey | ZFEYQVHPMAYMMU-QIUKSJNMSA-N |
| XLogP | 20.20 |
| TPSA | 433.10 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2121.60 |
| LogP ≤ 5 | 20.20 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 24 |