5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one

C24H20N2O2 — CID 1003359

IUPAC5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
SMILESCCOc1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c1-2-28-21-15-13-20(14-16-21)26-23(19-11-7-4-8-12-19)25-22(24(26)27)17-18-9-5-3-6-10-18/h3-17H,2H2,1H3
InChIKeyJXGUPZLPQCAMFX-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.92
Rot. Bonds5

About 5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one

5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one (PubChem CID 1003359) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
PubChem CID1003359
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
SMILESCCOc1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C24H20N2O2/c1-2-28-21-15-13-20(14-16-21)26-23(19-11-7-4-8-12-19)25-22(24(26)27)17-18-9-5-3-6-10-18/h3-17H,2H2,1H3
InChIKeyJXGUPZLPQCAMFX-UHFFFAOYSA-N
XLogP4.92
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.92
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

5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
CID 3709387
(5E)-5-benzylidene-2-(3-chloro-1-benzothiophen-2-yl)-3-(4-ethoxyphenyl)imidazol-4-one
CID 126001299
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
methyl 4-[(E)-[1-(4-ethoxyphenyl)-2-(3-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]benzoate
CID 126002853
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonate
CID 7832187
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-diphenylimidazol-4-one
CID 102169883
4-[(4E)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]benzenesulfonamide
CID 164620800
(5Z)-5-[(4-bromophenyl)methylidene]-2-(4-butoxyphenyl)-3-(4-octoxyphenyl)imidazol-4-one
CID 46496790
5-benzylidene-3-(4-morpholin-4-ylphenyl)-2-phenylimidazol-4-one
CID 3070689
N-methyl-N-[4-[(4E)-5-oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]acetamide
CID 26476935
CID 155758715
CID 155758715

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one?
The IUPAC name of 5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one (CID 1003359) is 5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one.
What is the SMILES notation for 5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one?
The canonical SMILES for 5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one is CCOc1ccc(N2C(=O)C(=Cc3ccccc3)N=C2c2ccccc2)cc1.
What is the InChIKey of 5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one?
The InChIKey is JXGUPZLPQCAMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-2-28-21-15-13-20(14-16-21)26-23(19-11-7-4-8-12-19)25-22(24(26)27)17-18-9-5-3-6-10-18/h3-17H,2H2,1H3.
What are the key properties of 5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one?
5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one has a molecular weight of 368.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one is sourced from PubChem (CID 1003359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).