2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one

C150H160ClFN22O12 — CID 160912600

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
SMILESCCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)COc2ccc(F)cc2)CC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1.[H]/N=C1\C[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O
InChIInChI=1S/C29H29FN4O3.C29H30N4O3.C26H43N3O2.C24H23N3O2.C22H18ClN3O.C20H17N5O/c30-24-11-13-25(14-12-24)37-20-26(35)33-17-15-21(16-18-33)19-34-27(36)29(32-28(34)31,22-7-3-1-4-8-22)23-9-5-2-6-10-23;30-28-31-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)27(35)33(28)20-22-16-18-32(19-17-22)26(34)21-36-25-14-8-3-9-15-25;27-23-20-26(19-22-11-5-2-6-12-22,15-14-21-9-3-1-4-10-21)25(31)29(23)18-8-17-28-16-7-13-24(28)30;1-3-29-21-14-8-10-18(16-21)17-9-7-13-20(15-17)24(19-11-5-4-6-12-19)22(28)27(2)23(25)26-24;1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16;1-25-18(26)20(24-19(25)21,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-22-13-23-12-15/h1-14,21H,15-20H2,(H2,31,32);1-15,22H,16-21H2,(H2,30,31);21-22,27H,1-20H2;4-16H,3H2,1-2H3,(H2,25,26);2-14H,1H3,(H2,24,25);2-13H,1H3,(H2,21,24)/b;;27-23+;;;/t;;26-;;;/m..0.../s1
InChIKeySQZGWQUQCVBCJN-PVAUSQKPSA-N
MW2517.52 g/mol
LogP22.47
Rot. Bonds34

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one (PubChem CID 160912600) has the molecular formula C150H160ClFN22O12 and a molecular weight of 2517.52 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
PubChem CID160912600
Molecular FormulaC150H160ClFN22O12
Molecular Weight2517.52 g/mol
Exact Mass2515.23
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one
SMILESCCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)COc2ccc(F)cc2)CC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1.[H]/N=C1\C[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O
InChIInChI=1S/C29H29FN4O3.C29H30N4O3.C26H43N3O2.C24H23N3O2.C22H18ClN3O.C20H17N5O/c30-24-11-13-25(14-12-24)37-20-26(35)33-17-15-21(16-18-33)19-34-27(36)29(32-28(34)31,22-7-3-1-4-8-22)23-9-5-2-6-10-23;30-28-31-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)27(35)33(28)20-22-16-18-32(19-17-22)26(34)21-36-25-14-8-3-9-15-25;27-23-20-26(19-22-11-5-2-6-12-22,15-14-21-9-3-1-4-10-21)25(31)29(23)18-8-17-28-16-7-13-24(28)30;1-3-29-21-14-8-10-18(16-21)17-9-7-13-20(15-17)24(19-11-5-4-6-12-19)22(28)27(2)23(25)26-24;1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16;1-25-18(26)20(24-19(25)21,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-22-13-23-12-15/h1-14,21H,15-20H2,(H2,31,32);1-15,22H,16-21H2,(H2,30,31);21-22,27H,1-20H2;4-16H,3H2,1-2H3,(H2,25,26);2-14H,1H3,(H2,24,25);2-13H,1H3,(H2,21,24)/b;;27-23+;;;/t;;26-;;;/m..0.../s1
InChIKeySQZGWQUQCVBCJN-PVAUSQKPSA-N
XLogP22.47
TPSA452.01 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms186
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002517.52
LogP ≤ 522.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one (CID 160912600) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one is CCOc1cccc(-c2cccc(C3(c4ccccc4)N=C(N)N(C)C3=O)c2)c1.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cncnc3)c2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)COc2ccc(F)cc2)CC1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CC1CCN(C(=O)COc2ccccc2)CC1.[H]/N=C1\C[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is SQZGWQUQCVBCJN-PVAUSQKPSA-N. The full InChI is InChI=1S/C29H29FN4O3.C29H30N4O3.C26H43N3O2.C24H23N3O2.C22H18ClN3O.C20H17N5O/c30-24-11-13-25(14-12-24)37-20-26(35)33-17-15-21(16-18-33)19-34-27(36)29(32-28(34)31,22-7-3-1-4-8-22)23-9-5-2-6-10-23;30-28-31-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)27(35)33(28)20-22-16-18-32(19-17-22)26(34)21-36-25-14-8-3-9-15-25;27-23-20-26(19-22-11-5-2-6-12-22,15-14-21-9-3-1-4-10-21)25(31)29(23)18-8-17-28-16-7-13-24(28)30;1-3-29-21-14-8-10-18(16-21)17-9-7-13-20(15-17)24(19-11-5-4-6-12-19)22(28)27(2)23(25)26-24;1-26-20(27)22(25-21(26)24,17-9-3-2-4-10-17)18-11-5-7-15(13-18)16-8-6-12-19(23)14-16;1-25-18(26)20(24-19(25)21,16-7-3-2-4-8-16)17-9-5-6-14(10-17)15-11-22-13-23-12-15/h1-14,21H,15-20H2,(H2,31,32);1-15,22H,16-21H2,(H2,30,31);21-22,27H,1-20H2;4-16H,3H2,1-2H3,(H2,25,26);2-14H,1H3,(H2,24,25);2-13H,1H3,(H2,21,24)/b;;27-23+;;;/t;;26-;;;/m..0.../s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 2517.52 g/mol, XLogP of 22.47, 34 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-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-3-methyl-5-phenyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one;2-amino-3-[[1-(2-phenoxyacetyl)piperidin-4-yl]methyl]-5,5-diphenylimidazol-4-one;(3S)-3-(2-cyclohexylethyl)-3-(cyclohexylmethyl)-5-imino-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 160912600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).