5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one

C24H20N2O2 — CID 1275115

IUPAC5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
SMILESCOc1ccc(C=C2N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C24H20N2O2/c1-17-7-6-10-20(15-17)26-23(19-8-4-3-5-9-19)25-22(24(26)27)16-18-11-13-21(28-2)14-12-18/h3-16H,1-2H3
InChIKeySNEWSHXUAITEPT-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.84
Rot. Bonds4

About 5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one

5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one (PubChem CID 1275115) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
PubChem CID1275115
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
SMILESCOc1ccc(C=C2N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1
InChIInChI=1S/C24H20N2O2/c1-17-7-6-10-20(15-17)26-23(19-8-4-3-5-9-19)25-22(24(26)27)16-18-11-13-21(28-2)14-12-18/h3-16H,1-2H3
InChIKeySNEWSHXUAITEPT-UHFFFAOYSA-N
XLogP4.84
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(4-fluorophenyl)methylidene]-3-(3-methoxyphenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 156601529
(5E)-3-(4-methoxyphenyl)-2-(3-methylphenyl)-5-[(4-nitrophenyl)methylidene]imidazol-4-one
CID 46497390
2-[(4E)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137205917
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
CID 3709387
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616
(5Z)-5-benzylidene-2-phenyl-3-[3-(trifluoromethyl)phenyl]imidazol-4-one
CID 46496778
5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-(3-methylphenyl)imidazol-4-one
CID 5348654

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one?
The IUPAC name of 5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one (CID 1275115) is 5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one is COc1ccc(C=C2N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one?
The InChIKey is SNEWSHXUAITEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-17-7-6-10-20(15-17)26-23(19-8-4-3-5-9-19)25-22(24(26)27)16-18-11-13-21(28-2)14-12-18/h3-16H,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one?
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one has a molecular weight of 368.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one is sourced from PubChem (CID 1275115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).