2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one

C118H137ClF2N18O9 — CID 162047238

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.COc1cccc(-c2cc(C3(c4ccccc4)N=C(N)N(C)C3=O)ccc2F)c1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C27H40N4O3.C25H42N4O2.C23H20FN3O2.C22H18ClN3O.C21H17FN4O/c28-26-29-27(20-23-10-5-2-6-11-23,18-17-21-8-3-1-4-9-21)25(32)30(26)19-7-12-22-13-15-24(16-14-22)31(33)34;26-24-27-25(19-21-11-5-2-6-12-21,15-14-20-9-3-1-4-10-20)23(31)29(24)18-8-17-28-16-7-13-22(28)30;1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-11-12-20(24)19(14-17)15-7-6-10-18(13-15)29-2;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;1-26-19(27)21(25-20(26)23,15-7-3-2-4-8-15)16-9-10-18(22)17(12-16)14-6-5-11-24-13-14/h13-16,21,23H,1-12,17-20H2,(H2,28,29);20-21H,1-19H2,(H2,26,27);3-14H,1-2H3,(H2,25,26);2-14H,1H3,(H2,24,25);2-13H,1H3,(H2,23,25)/t27-;25-;;;/m11.../s1
InChIKeyYYBCLTNPOGLFAQ-DYCKRDPPSA-N
MW2024.96 g/mol
LogP20.47
Rot. Bonds29

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one (PubChem CID 162047238) has the molecular formula C118H137ClF2N18O9 and a molecular weight of 2024.96 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
PubChem CID162047238
Molecular FormulaC118H137ClF2N18O9
Molecular Weight2024.96 g/mol
Exact Mass2023.05
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.COc1cccc(-c2cc(C3(c4ccccc4)N=C(N)N(C)C3=O)ccc2F)c1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C27H40N4O3.C25H42N4O2.C23H20FN3O2.C22H18ClN3O.C21H17FN4O/c28-26-29-27(20-23-10-5-2-6-11-23,18-17-21-8-3-1-4-9-21)25(32)30(26)19-7-12-22-13-15-24(16-14-22)31(33)34;26-24-27-25(19-21-11-5-2-6-12-21,15-14-20-9-3-1-4-10-20)23(31)29(24)18-8-17-28-16-7-13-22(28)30;1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-11-12-20(24)19(14-17)15-7-6-10-18(13-15)29-2;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;1-26-19(27)21(25-20(26)23,15-7-3-2-4-8-15)16-9-10-18(22)17(12-16)14-6-5-11-24-13-14/h13-16,21,23H,1-12,17-20H2,(H2,28,29);20-21H,1-19H2,(H2,26,27);3-14H,1-2H3,(H2,25,26);2-14H,1H3,(H2,24,25);2-13H,1H3,(H2,23,25)/t27-;25-;;;/m11.../s1
InChIKeyYYBCLTNPOGLFAQ-DYCKRDPPSA-N
XLogP20.47
TPSA379.02 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002024.96
LogP ≤ 520.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-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;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one (CID 162047238) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one is CN1C(=O)C(c2ccccc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N.CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N.COc1cccc(-c2cc(C3(c4ccccc4)N=C(N)N(C)C3=O)ccc2F)c1.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCN1CCCC1=O.NC1=N[C@](CCC2CCCCC2)(CC2CCCCC2)C(=O)N1CCCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
The InChIKey is YYBCLTNPOGLFAQ-DYCKRDPPSA-N. The full InChI is InChI=1S/C27H40N4O3.C25H42N4O2.C23H20FN3O2.C22H18ClN3O.C21H17FN4O/c28-26-29-27(20-23-10-5-2-6-11-23,18-17-21-8-3-1-4-9-21)25(32)30(26)19-7-12-22-13-15-24(16-14-22)31(33)34;26-24-27-25(19-21-11-5-2-6-12-21,15-14-20-9-3-1-4-10-20)23(31)29(24)18-8-17-28-16-7-13-22(28)30;1-27-21(28)23(26-22(27)25,16-8-4-3-5-9-16)17-11-12-20(24)19(14-17)15-7-6-10-18(13-15)29-2;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;1-26-19(27)21(25-20(26)23,15-7-3-2-4-8-15)16-9-10-18(22)17(12-16)14-6-5-11-24-13-14/h13-16,21,23H,1-12,17-20H2,(H2,28,29);20-21H,1-19H2,(H2,26,27);3-14H,1-2H3,(H2,25,26);2-14H,1H3,(H2,24,25);2-13H,1H3,(H2,23,25)/t27-;25-;;;/m11.../s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one has a molecular weight of 2024.96 g/mol, XLogP of 20.47, 29 rotatable bonds, 5 hydrogen bond donors, and 20 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;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(4-nitrophenyl)propyl]imidazol-4-one;(5R)-2-amino-5-(2-cyclohexylethyl)-5-(cyclohexylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]imidazol-4-one;2-amino-5-[4-fluoro-3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one;2-amino-5-(4-fluoro-3-pyridin-3-ylphenyl)-3-methyl-5-phenylimidazol-4-one is sourced from PubChem (CID 162047238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).