(3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide

C116H134ClN21O9S — CID 158672823

About (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide

(3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide (PubChem CID 158672823) has the molecular formula C116H134ClN21O9S and a molecular weight of 2034.01 g/mol. Its IUPAC name is (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide.

Molecular Properties

• Compound Name: (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide
• PubChem CID: 158672823
• Molecular Formula: C116H134ClN21O9S
• Molecular Weight: 2034.01 g/mol
• Exact Mass: 2032.01
• IUPAC Name: (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide
• SMILES: C#CC[C@@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cccc(-c2cccnc2)c1.C#CC[C@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cccc(-c2cccnc2)c1.CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(C(=O)NCc3ccccc3)C2)C1=O.CCS(=O)(=O)Nc1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](N3CC[C@H](O)C3)C2)N=C1N
• InChI: InChI=1S/C29H30ClN5O2.C24H24N4O3S.C23H40N4O2.2C20H20N4O/c1-29(24-11-5-9-22(15-24)23-10-6-12-25(30)16-23)26(36)35(27(31)33-29)19-21-13-14-34(18-21)28(37)32-17-20-7-3-2-4-8-20;1-2-32(30,31)27-21-15-9-10-18(16-21)17-28-22(29)24(26-23(28)25,19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-26-21(29)23(25-22(26)24,12-10-17-6-3-2-4-7-17)15-18-8-5-9-19(14-18)27-13-11-20(28)16-27;2*1-4-7-17-18(25)24(3)19(21)23-20(17,2)16-10-5-8-14(12-16)15-9-6-11-22-13-15/h2-12,15-16,21H,13-14,17-19H2,1H3,(H2,31,33)(H,32,37);3-16,27H,2,17H2,1H3,(H2,25,26);17-20,28H,2-16H2,1H3,(H2,24,25);2*1,5-6,8-13,17H,7H2,2-3H3,(H2,21,23)/t21-,29?;;18-,19+,20-,23+;17-,20+;17-,20-/m0.001/s1
• InChIKey: IEDSCEJDBQADNG-PEUWWWTCSA-N
• XLogP: 15.33
• TPSA: 421.21 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2034.01
LogP ≤ 5	15.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide?

The IUPAC name of (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide (CID 158672823) is (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide.

What is the SMILES notation for (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide?

The canonical SMILES for (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide is C#CC[C@@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cccc(-c2cccnc2)c1.C#CC[C@H]1C(=O)N(C)C(N)=N[C@]1(C)c1cccc(-c2cccnc2)c1.CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(C(=O)NCc3ccccc3)C2)C1=O.CCS(=O)(=O)Nc1cccc(CN2C(=O)C(c3ccccc3)(c3ccccc3)N=C2N)c1.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](N3CC[C@H](O)C3)C2)N=C1N.

What is the InChIKey of (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide?

The InChIKey is IEDSCEJDBQADNG-PEUWWWTCSA-N. The full InChI is InChI=1S/C29H30ClN5O2.C24H24N4O3S.C23H40N4O2.2C20H20N4O/c1-29(24-11-5-9-22(15-24)23-10-6-12-25(30)16-23)26(36)35(27(31)33-29)19-21-13-14-34(18-21)28(37)32-17-20-7-3-2-4-8-20;1-2-32(30,31)27-21-15-9-10-18(16-21)17-28-22(29)24(26-23(28)25,19-11-5-3-6-12-19)20-13-7-4-8-14-20;1-26-21(29)23(25-22(26)24,12-10-17-6-3-2-4-7-17)15-18-8-5-9-19(14-18)27-13-11-20(28)16-27;2*1-4-7-17-18(25)24(3)19(21)23-20(17,2)16-10-5-8-14(12-16)15-9-6-11-22-13-15/h2-12,15-16,21H,13-14,17-19H2,1H3,(H2,31,33)(H,32,37);3-16,27H,2,17H2,1H3,(H2,25,26);17-20,28H,2-16H2,1H3,(H2,24,25);2*1,5-6,8-13,17H,7H2,2-3H3,(H2,21,23)/t21-,29?;;18-,19+,20-,23+;17-,20+;17-,20-/m0.001/s1.

What are the key properties of (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide?

(3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide has a molecular weight of 2034.01 g/mol, XLogP of 15.33, 25 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[[2-amino-4-[3-(3-chlorophenyl)phenyl]-4-methyl-5-oxoimidazol-1-yl]methyl]-N-benzylpyrrolidine-1-carboxamide;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-[(3S)-3-hydroxypyrrolidin-1-yl]cyclohexyl]methyl]-3-methylimidazol-4-one;(5S,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,6-dimethyl-5-prop-2-ynyl-6-(3-pyridin-3-ylphenyl)-5H-pyrimidin-4-one;N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 158672823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).