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

C27H26N2O4 — CID 3709387

IUPAC5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
SMILESCCOc1ccc(C=C2N=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1OCC
InChIInChI=1S/C27H26N2O4/c1-4-32-24-16-11-19(18-25(24)33-5-2)17-23-27(30)29(21-12-14-22(31-3)15-13-21)26(28-23)20-9-7-6-8-10-20/h6-18H,4-5H2,1-3H3
InChIKeyJMUDYKZKRHXRJA-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.33
Rot. Bonds8

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

5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one (PubChem CID 3709387) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
PubChem CID3709387
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
SMILESCCOc1ccc(C=C2N=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1OCC
InChIInChI=1S/C27H26N2O4/c1-4-32-24-16-11-19(18-25(24)33-5-2)17-23-27(30)29(21-12-14-22(31-3)15-13-21)26(28-23)20-9-7-6-8-10-20/h6-18H,4-5H2,1-3H3
InChIKeyJMUDYKZKRHXRJA-UHFFFAOYSA-N
XLogP5.33
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-benzylidene-3-(4-ethoxyphenyl)-2-phenylimidazol-4-one
CID 1003359
methyl 4-[4-[(3,4-diethoxyphenyl)methylidene]-2-(4-methylphenyl)-5-oxoimidazol-1-yl]benzoate
CID 3764375
5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 1371884
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-2-(2-methylphenyl)-3-(4-methylphenyl)imidazol-4-one
CID 2067551
4-[4-[(3,4-dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzoic acid
CID 3681343
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
(5E)-3-(4-bromophenyl)-5-[(3,4-diethoxyphenyl)methylidene]-2-(2-methylphenyl)imidazol-4-one
CID 2066854
N-[4-[(4E)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-N-methylacetamide
CID 1274962
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
(5E)-5-[(3,4-diethoxyphenyl)methylidene]-3-methyl-2-(4-methylphenyl)imidazol-4-one
CID 1392036
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616
(5Z)-3-(4-bromophenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 45105651

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one?
The IUPAC name of 5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one (CID 3709387) is 5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one.
What is the SMILES notation for 5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one?
The canonical SMILES for 5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one is CCOc1ccc(C=C2N=C(c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1OCC.
What is the InChIKey of 5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one?
The InChIKey is JMUDYKZKRHXRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-4-32-24-16-11-19(18-25(24)33-5-2)17-23-27(30)29(21-12-14-22(31-3)15-13-21)26(28-23)20-9-7-6-8-10-20/h6-18H,4-5H2,1-3H3.
What are the key properties of 5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one?
5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one has a molecular weight of 442.52 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one is sourced from PubChem (CID 3709387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).