C120H118FN19O7S — CID 158088980
2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[(3S)-1-benzoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[4-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-cyclopentylpropanamide (PubChem CID 158088980) has the molecular formula C120H118FN19O7S and a molecular weight of 1989.45 g/mol. Its IUPAC name is 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[(3S)-1-benzoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[4-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-cyclopentylpropanamide.
| Compound Name | 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[(3S)-1-benzoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[4-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-cyclopentylpropanamide |
|---|---|
| PubChem CID | 158088980 |
| Molecular Formula | C120H118FN19O7S |
| Molecular Weight | 1989.45 g/mol |
| Exact Mass | 1987.92 |
| IUPAC Name | 2-amino-5-[3-[3-(aminomethyl)phenyl]phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[(3S)-1-benzoylpiperidin-3-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-cyclopropyl-3-methyl-5-[3-(2-methyl-4-pyridinyl)phenyl]imidazol-4-one;2-amino-5-[4-(3-fluorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one;N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-cyclopentylpropanamide |
| SMILES | CN1C(=O)C(c2ccccc2)(c2cc(-c3cccc(F)c3)cs2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(CN)c3)c2)N=C1N.Cc1cc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)ccn1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(C(=O)c2ccccc2)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(NC(=O)CCC2CCCC2)cc1 |
| InChI | InChI=1S/C30H32N4O2.C28H28N4O2.C23H22N4O.C20H16FN3OS.C19H20N4O/c31-29-33-30(24-11-3-1-4-12-24,25-13-5-2-6-14-25)28(36)34(29)21-23-15-18-26(19-16-23)32-27(35)20-17-22-9-7-8-10-22;29-27-30-28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)26(34)32(27)20-21-11-10-18-31(19-21)25(33)22-12-4-1-5-13-22;1-27-21(28)23(26-22(27)25,19-10-3-2-4-11-19)20-12-6-9-18(14-20)17-8-5-7-16(13-17)15-24;1-24-18(25)20(23-19(24)22,15-7-3-2-4-8-15)17-11-14(12-26-17)13-6-5-9-16(21)10-13;1-12-10-14(8-9-21-12)13-4-3-5-16(11-13)19(15-6-7-15)17(24)23(2)18(20)22-19/h1-6,11-16,18-19,22H,7-10,17,20-21H2,(H2,31,33)(H,32,35);1-9,12-17,21H,10-11,18-20H2,(H2,29,30);2-14H,15,24H2,1H3,(H2,25,26);2-12H,1H3,(H2,22,23);3-5,8-11,15H,6-7H2,1-2H3,(H2,20,22)/t;21-;;;/m.0.../s1 |
| InChIKey | FNWASRVPFBXKCA-GJUMUDSJSA-N |
| XLogP | 17.71 |
| TPSA | 381.77 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1989.45 |
| LogP ≤ 5 | 17.71 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 20 |