(2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile

C105H106ClN19O8S2 — CID 158205710

About (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile

(2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile (PubChem CID 158205710) has the molecular formula C105H106ClN19O8S2 and a molecular weight of 1861.71 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile.

Molecular Properties

• Compound Name: (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
• PubChem CID: 158205710
• Molecular Formula: C105H106ClN19O8S2
• Molecular Weight: 1861.71 g/mol
• Exact Mass: 1859.76
• IUPAC Name: (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
• SMILES: CC(C)Oc1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccc(C#N)c3)cs2)cn1.CC(C)Oc1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccc(C#N)c3)cs2)cn1.CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(C(=O)c3ccccc3)C2)C1=O.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)[C@@H](N)c1ccccc1
• InChI: InChI=1S/C28H27ClN4O2.C27H29N5O2.2C25H25N5O2S/c1-28(23-11-5-9-21(15-23)22-10-6-12-24(29)16-22)26(35)33(27(30)31-28)18-19-13-14-32(17-19)25(34)20-7-3-2-4-8-20;28-23(20-12-4-1-5-13-20)24(33)30-18-10-11-19-32-25(34)27(31-26(32)29,21-14-6-2-7-15-21)22-16-8-3-9-17-22;2*1-15(2)32-21-9-8-18(13-28-21)22-23(31)30(4)24(27)29-25(22,3)20-11-19(14-33-20)17-7-5-6-16(10-17)12-26/h2-12,15-16,19H,13-14,17-18H2,1H3,(H2,30,31);1-9,12-17,23H,10-11,18-19,28H2,(H2,29,31)(H,30,33);2*5-11,13-15,22H,1-4H3,(H2,27,29)/t19-,28?;23-;22-,25+;22-,25-/m0001/s1
• InChIKey: GBLWPGAZNVYMHE-IARFMUQSSA-N
• XLogP: 15.73
• TPSA: 402.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1861.71
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?

The IUPAC name of (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile (CID 158205710) is (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile.

What is the SMILES notation for (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?

The canonical SMILES for (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile is CC(C)Oc1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccc(C#N)c3)cs2)cn1.CC(C)Oc1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2cc(-c3cccc(C#N)c3)cs2)cn1.CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(C(=O)c3ccccc3)C2)C1=O.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCNC(=O)[C@@H](N)c1ccccc1.

What is the InChIKey of (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?

The InChIKey is GBLWPGAZNVYMHE-IARFMUQSSA-N. The full InChI is InChI=1S/C28H27ClN4O2.C27H29N5O2.2C25H25N5O2S/c1-28(23-11-5-9-21(15-23)22-10-6-12-24(29)16-22)26(35)33(27(30)31-28)18-19-13-14-32(17-19)25(34)20-7-3-2-4-8-20;28-23(20-12-4-1-5-13-20)24(33)30-18-10-11-19-32-25(34)27(31-26(32)29,21-14-6-2-7-15-21)22-16-8-3-9-17-22;2*1-15(2)32-21-9-8-18(13-28-21)22-23(31)30(4)24(27)29-25(22,3)20-11-19(14-33-20)17-7-5-6-16(10-17)12-26/h2-12,15-16,19H,13-14,17-18H2,1H3,(H2,30,31);1-9,12-17,23H,10-11,18-19,28H2,(H2,29,31)(H,30,33);2*5-11,13-15,22H,1-4H3,(H2,27,29)/t19-,28?;23-;22-,25+;22-,25-/m0001/s1.

What are the key properties of (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile?

(2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile has a molecular weight of 1861.71 g/mol, XLogP of 15.73, 24 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile is sourced from PubChem (CID 158205710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).