3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide

C138H143ClFN23O11 — CID 161385175

IUPAC3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C(C)C)c4)c3)N=C2N)CC1.CCOCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.CN1C(=O)C(C)(c2ccc(F)c(-c3ccncc3)c2)N=C1N.CNC(=O)c1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.COc1ccc(C(=O)NCc2ccc(Cl)cc2-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)cc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1N1CCCC1
InChIInChI=1S/C30H26N4O2.C27H34N4O2.C26H25ClN4O3.C20H23N3O2.C19H20N4O.C16H15FN4O/c1-32-27(35)24-13-9-12-23(19-24)22-11-8-10-21(18-22)20-34-28(36)30(33-29(34)31,25-14-4-2-5-15-25)26-16-6-3-7-17-26;1-18(2)21-7-5-8-22(15-21)23-9-6-10-24(16-23)27(4)25(33)31(26(28)29-27)17-20-11-13-30(14-12-20)19(3)32;1-26(24(33)31(2)25(28)30-26)19-6-4-5-17(13-19)22-14-20(27)10-7-18(22)15-29-23(32)16-8-11-21(34-3)12-9-16;1-2-25-15-9-14-23-18(24)20(22-19(23)21,16-10-5-3-6-11-16)17-12-7-4-8-13-17;20-18-21-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17(24)23(18)22-13-7-8-14-22;1-16(14(22)21(2)15(18)20-16)11-3-4-13(17)12(9-11)10-5-7-19-8-6-10/h2-19H,20H2,1H3,(H2,31,33)(H,32,35);5-10,15-16,18,20H,11-14,17H2,1-4H3,(H2,28,29);4-14H,15H2,1-3H3,(H2,28,30)(H,29,32);3-8,10-13H,2,9,14-15H2,1H3,(H2,21,22);1-6,9-12H,7-8,13-14H2,(H2,20,21);3-9H,1-2H3,(H2,18,20)
InChIKeyVSGAIXJXJLMSQO-UHFFFAOYSA-N
MW2354.26 g/mol
LogP18.87
Rot. Bonds29

About 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide (PubChem CID 161385175) has the molecular formula C138H143ClFN23O11 and a molecular weight of 2354.26 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide
PubChem CID161385175
Molecular FormulaC138H143ClFN23O11
Molecular Weight2354.26 g/mol
Exact Mass2352.10
IUPAC Name3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide
SMILESCC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C(C)C)c4)c3)N=C2N)CC1.CCOCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.CN1C(=O)C(C)(c2ccc(F)c(-c3ccncc3)c2)N=C1N.CNC(=O)c1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.COc1ccc(C(=O)NCc2ccc(Cl)cc2-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)cc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1N1CCCC1
InChIInChI=1S/C30H26N4O2.C27H34N4O2.C26H25ClN4O3.C20H23N3O2.C19H20N4O.C16H15FN4O/c1-32-27(35)24-13-9-12-23(19-24)22-11-8-10-21(18-22)20-34-28(36)30(33-29(34)31,25-14-4-2-5-15-25)26-16-6-3-7-17-26;1-18(2)21-7-5-8-22(15-21)23-9-6-10-24(16-23)27(4)25(33)31(26(28)29-27)17-20-11-13-30(14-12-20)19(3)32;1-26(24(33)31(2)25(28)30-26)19-6-4-5-17(13-19)22-14-20(27)10-7-18(22)15-29-23(32)16-8-11-21(34-3)12-9-16;1-2-25-15-9-14-23-18(24)20(22-19(23)21,16-10-5-3-6-11-16)17-12-7-4-8-13-17;20-18-21-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17(24)23(18)22-13-7-8-14-22;1-16(14(22)21(2)15(18)20-16)11-3-4-13(17)12(9-11)10-5-7-19-8-6-10/h2-19H,20H2,1H3,(H2,31,33)(H,32,35);5-10,15-16,18,20H,11-14,17H2,1-4H3,(H2,28,29);4-14H,15H2,1-3H3,(H2,28,30)(H,29,32);3-8,10-13H,2,9,14-15H2,1H3,(H2,21,22);1-6,9-12H,7-8,13-14H2,(H2,20,21);3-9H,1-2H3,(H2,18,20)
InChIKeyVSGAIXJXJLMSQO-UHFFFAOYSA-N
XLogP18.87
TPSA465.24 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds29
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002354.26
LogP ≤ 518.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide with MolForge

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Related Compounds

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;2-amino-5-[3-(5-chloro-3-pyridinyl)phenyl]-5-cyclobutyl-3-methylimidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-4-methoxybenzamide;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylbenzamide;2-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-4-carboxamide
CID 159689287

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide (CID 161385175) is 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide is CC(=O)N1CCC(CN2C(=O)C(C)(c3cccc(-c4cccc(C(C)C)c4)c3)N=C2N)CC1.CCOCCCN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N.CN1C(=O)C(C)(c2ccc(F)c(-c3ccncc3)c2)N=C1N.CNC(=O)c1cccc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.COc1ccc(C(=O)NCc2ccc(Cl)cc2-c2cccc(C3(C)N=C(N)N(C)C3=O)c2)cc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1N1CCCC1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide?
The InChIKey is VSGAIXJXJLMSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2.C27H34N4O2.C26H25ClN4O3.C20H23N3O2.C19H20N4O.C16H15FN4O/c1-32-27(35)24-13-9-12-23(19-24)22-11-8-10-21(18-22)20-34-28(36)30(33-29(34)31,25-14-4-2-5-15-25)26-16-6-3-7-17-26;1-18(2)21-7-5-8-22(15-21)23-9-6-10-24(16-23)27(4)25(33)31(26(28)29-27)17-20-11-13-30(14-12-20)19(3)32;1-26(24(33)31(2)25(28)30-26)19-6-4-5-17(13-19)22-14-20(27)10-7-18(22)15-29-23(32)16-8-11-21(34-3)12-9-16;1-2-25-15-9-14-23-18(24)20(22-19(23)21,16-10-5-3-6-11-16)17-12-7-4-8-13-17;20-18-21-19(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17(24)23(18)22-13-7-8-14-22;1-16(14(22)21(2)15(18)20-16)11-3-4-13(17)12(9-11)10-5-7-19-8-6-10/h2-19H,20H2,1H3,(H2,31,33)(H,32,35);5-10,15-16,18,20H,11-14,17H2,1-4H3,(H2,28,29);4-14H,15H2,1-3H3,(H2,28,30)(H,29,32);3-8,10-13H,2,9,14-15H2,1H3,(H2,21,22);1-6,9-12H,7-8,13-14H2,(H2,20,21);3-9H,1-2H3,(H2,18,20).
What are the key properties of 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide?
3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide has a molecular weight of 2354.26 g/mol, XLogP of 18.87, 29 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(3-propan-2-ylphenyl)phenyl]imidazol-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-4-methoxybenzamide;2-amino-5,5-diphenyl-3-pyrrolidin-1-ylimidazol-4-one;2-amino-3-(3-ethoxypropyl)-5,5-diphenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-4-ylphenyl)-3,5-dimethylimidazol-4-one;3-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-N-methylbenzamide is sourced from PubChem (CID 161385175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).