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-(4-hydroxybutyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one

C75H83ClN12O7 — CID 160504337

IUPAC3-[(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-(4-hydroxybutyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCCCO.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@@H]1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C29H30N4O2.C24H29N5O3.C22H24ClN3O2/c30-28-31-29(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;1-16(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;23-19-8-4-6-16(14-19)15-5-3-7-18(13-15)22(17-9-10-17)20(28)26(21(24)25-22)11-1-2-12-27/h1-9,11-12,14-17,23H,10,13,18-21H2,(H2,30,31);4-6,11-14,17H,7-10,15H2,1-3H3,(H2,25,27);3-8,13-14,17,27H,1-2,9-12H2,(H2,24,25)/t23-;;/m1../s1
InChIKeyQSEPTBFIUOXCAU-MQWQBNKOSA-N
MW1300.02 g/mol
LogP9.50
Rot. Bonds18

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-(4-hydroxybutyl)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-(4-hydroxybutyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one (PubChem CID 160504337) has the molecular formula C75H83ClN12O7 and a molecular weight of 1300.02 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-(4-hydroxybutyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one.

Molecular Properties

Compound Name3-[(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-(4-hydroxybutyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
PubChem CID160504337
Molecular FormulaC75H83ClN12O7
Molecular Weight1300.02 g/mol
Exact Mass1298.62
IUPAC Name3-[(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-(4-hydroxybutyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one
SMILESCOc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCCCO.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1C[C@@H]1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C29H30N4O2.C24H29N5O3.C22H24ClN3O2/c30-28-31-29(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;1-16(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;23-19-8-4-6-16(14-19)15-5-3-7-18(13-15)22(17-9-10-17)20(28)26(21(24)25-22)11-1-2-12-27/h1-9,11-12,14-17,23H,10,13,18-21H2,(H2,30,31);4-6,11-14,17H,7-10,15H2,1-3H3,(H2,25,27);3-8,13-14,17,27H,1-2,9-12H2,(H2,24,25)/t23-;;/m1../s1
InChIKeyQSEPTBFIUOXCAU-MQWQBNKOSA-N
XLogP9.50
TPSA259.04 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001300.02
LogP ≤ 59.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 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-(4-hydroxybutyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(2-chloro-5-methoxy-4-pyridinyl)phenyl]-5-methylimidazol-4-one
CID 89382048
(6S)-2-amino-6-[3-(3-chlorophenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;1-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-(2-phenylethyl)urea;2-amino-5-[3-(5-cyclopropyl-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5,5-diphenyl-3-[[1-(3-phenylpropanoyl)piperidin-4-yl]methyl]imidazol-4-one;(6S)-2-amino-6-[2-(3-methoxyphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 157428429
3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-1-oxidopyridin-1-ium-3-yl)phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;diiodomethane;iodomethane
CID 157676054
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-methoxyphenyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-methoxyethyl)imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(1S,3S)-3-(pyridin-3-ylamino)cyclohexyl]methyl]imidazol-4-one
CID 158052034
3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-1-oxidopyridin-1-ium-3-yl)phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;molecular chlorine;hydrochloride
CID 158620807
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
3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-1-oxidopyridin-1-ium-3-yl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(2-hydroxyethyl)imidazol-4-one;2-amino-5-[3-(6-chloropyrazin-2-yl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 159984966
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-3-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
CID 161398818
3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-1-oxidopyridin-1-ium-3-yl)phenyl]-5-methylimidazol-4-one;3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;diiodomethane;iodomethane
CID 161706936
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(5-chloro-2-methoxy-3-pyridinyl)phenyl]-5-methylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-3-ylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 162131838
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopentyl-3-methylimidazol-4-one;2-amino-3-[[1-(cycloheptanecarbonyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 162183291

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-(4-hydroxybutyl)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-(4-hydroxybutyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one (CID 160504337) 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-(4-hydroxybutyl)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-(4-hydroxybutyl)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-(4-hydroxybutyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one is COc1cncc(-c2cccc(C3(C)N=C(N)N(CC4CCN(C(C)=O)CC4)C3=O)c2)c1.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1CCCCO.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-(4-hydroxybutyl)imidazol-4-one;2-amino-5,5-diphenyl-3-[[(3R)-1-(2-phenylacetyl)piperidin-3-yl]methyl]imidazol-4-one?
The InChIKey is QSEPTBFIUOXCAU-MQWQBNKOSA-N. The full InChI is InChI=1S/C29H30N4O2.C24H29N5O3.C22H24ClN3O2/c30-28-31-29(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;1-16(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;23-19-8-4-6-16(14-19)15-5-3-7-18(13-15)22(17-9-10-17)20(28)26(21(24)25-22)11-1-2-12-27/h1-9,11-12,14-17,23H,10,13,18-21H2,(H2,30,31);4-6,11-14,17H,7-10,15H2,1-3H3,(H2,25,27);3-8,13-14,17,27H,1-2,9-12H2,(H2,24,25)/t23-;;/m1../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-(4-hydroxybutyl)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-(4-hydroxybutyl)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 1300.02 g/mol, XLogP of 9.50, 18 rotatable bonds, 4 hydrogen bond donors, and 14 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-(4-hydroxybutyl)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 160504337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).