N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide

C31H25N3O3 — CID 26476935

IUPACN-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccccc4)cc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C31H25N3O3/c1-22(35)33(2)25-15-17-26(18-16-25)34-30(24-9-5-3-6-10-24)32-29(31(34)36)21-23-13-19-28(20-14-23)37-27-11-7-4-8-12-27/h3-21H,1-2H3/b29-21+
InChIKeyCPVJNYYSKQIBAU-XHLNEMQHSA-N
MW487.56 g/mol
LogP6.30
Rot. Bonds6

About N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide

N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide (PubChem CID 26476935) has the molecular formula C31H25N3O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide
PubChem CID26476935
Molecular FormulaC31H25N3O3
Molecular Weight487.56 g/mol
Exact Mass487.19
IUPAC NameN-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccccc4)cc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C31H25N3O3/c1-22(35)33(2)25-15-17-26(18-16-25)34-30(24-9-5-3-6-10-24)32-29(31(34)36)21-23-13-19-28(20-14-23)37-27-11-7-4-8-12-27/h3-21H,1-2H3/b29-21+
InChIKeyCPVJNYYSKQIBAU-XHLNEMQHSA-N
XLogP6.30
TPSA62.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide 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

N-[4-[(4E)-4-[(3-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide
CID 26476959
N-[4-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide
CID 1274962
N-[4-[(4E)-4-[(2,4-dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide
CID 26476937
N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide
CID 3701856
5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one
CID 46898573
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
4-[4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzoic acid
CID 3681343
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide (CID 26476935) is N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide is CC(=O)N(C)c1ccc(N2C(=O)/C(=C\c3ccc(Oc4ccccc4)cc3)N=C2c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide?
The InChIKey is CPVJNYYSKQIBAU-XHLNEMQHSA-N. The full InChI is InChI=1S/C31H25N3O3/c1-22(35)33(2)25-15-17-26(18-16-25)34-30(24-9-5-3-6-10-24)32-29(31(34)36)21-23-13-19-28(20-14-23)37-27-11-7-4-8-12-27/h3-21H,1-2H3/b29-21+.
What are the key properties of N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide?
N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide has a molecular weight of 487.56 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 26476935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).