3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one

C130H151ClN20O11 — CID 158710219

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one (PubChem CID 158710219) has the molecular formula C130H151ClN20O11 and a molecular weight of 2205.22 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one.

Molecular Properties

• Compound Name: 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
• PubChem CID: 158710219
• Molecular Formula: C130H151ClN20O11
• Molecular Weight: 2205.22 g/mol
• Exact Mass: 2203.16
• IUPAC Name: 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
• SMILES: CCOCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccccc3)C2)N=C1N.COc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@@H]1CCCN(C(=O)Cc2ccccc2)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(C(=O)Cc2ccccc2)C1
• InChI: InChI=1S/2C29H30N4O2.C26H38N4O2.C24H29N5O3.C22H24ClN3O2/c2*30-28-31-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)27(35)33(28)21-23-13-10-18-32(20-23)26(34)19-22-11-4-1-5-12-22;1-30-24(32)26(29-25(30)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)28-23(31)21-12-6-3-7-13-21;1-16(30)28-9-7-17(8-10-28)15-29-22(31)24(2,27-23(29)25)20-6-4-5-18(11-20)19-12-21(32-3)14-26-13-19;1-2-28-12-11-26-20(27)22(17-9-10-17,25-21(26)24)18-7-3-5-15(13-18)16-6-4-8-19(23)14-16/h2*1-9,11-12,14-17,23H,10,13,18-21H2,(H2,30,31);3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,29)(H,28,31);4-6,11-14,17H,7-10,15H2,1-3H3,(H2,25,27);3-8,13-14,17H,2,9-12H2,1H3,(H2,24,25)/t2*23-;20-,22+,26+;;/m100../s1
• InChIKey: IIPUUXGFYBLDPX-SNMATYIBSA-N
• XLogP: 17.58
• TPSA: 414.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.22
LogP ≤ 5	17.58
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one?

The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one (CID 158710219) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one.

What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one?

The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one is CCOCCN1C(=O)C(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)N=C1N.CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCC[C@@H](NC(=O)c3ccccc3)C2)N=C1N.COc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@@H]1CCCN(C(=O)Cc2ccccc2)C1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@H]1CCCN(C(=O)Cc2ccccc2)C1.

What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one?

The InChIKey is IIPUUXGFYBLDPX-SNMATYIBSA-N. The full InChI is InChI=1S/2C29H30N4O2.C26H38N4O2.C24H29N5O3.C22H24ClN3O2/c2*30-28-31-29(24-14-6-2-7-15-24,25-16-8-3-9-17-25)27(35)33(28)21-23-13-10-18-32(20-23)26(34)19-22-11-4-1-5-12-22;1-30-24(32)26(29-25(30)27,16-15-19-9-4-2-5-10-19)18-20-11-8-14-22(17-20)28-23(31)21-12-6-3-7-13-21;1-16(30)28-9-7-17(8-10-28)15-29-22(31)24(2,27-23(29)25)20-6-4-5-18(11-20)19-12-21(32-3)14-26-13-19;1-2-28-12-11-26-20(27)22(17-9-10-17,25-21(26)24)18-7-3-5-15(13-18)16-6-4-8-19(23)14-16/h2*1-9,11-12,14-17,23H,10,13,18-21H2,(H2,30,31);3,6-7,12-13,19-20,22H,2,4-5,8-11,14-18H2,1H3,(H2,27,29)(H,28,31);4-6,11-14,17H,7-10,15H2,1-3H3,(H2,25,27);3-8,13-14,17H,2,9-12H2,1H3,(H2,24,25)/t2*23-;20-,22+,26+;;/m100../s1.

What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one?

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one has a molecular weight of 2205.22 g/mol, XLogP of 17.58, 31 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-ethoxyethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]benzamide;2-amino-5,5-diphenyl-3-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one is sourced from PubChem (CID 158710219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).