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

C25H22N2O4 — CID 6103653

IUPAC(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3OC)C2=O)c(OC)c1
InChIInChI=1S/C25H22N2O4/c1-29-19-14-13-18(23(16-19)31-3)15-20-25(28)27(21-11-7-8-12-22(21)30-2)24(26-20)17-9-5-4-6-10-17/h4-16H,1-3H3/b20-15+
InChIKeyQTBKBSYYOZXCLM-HMMYKYKNSA-N
MW414.46 g/mol
LogP4.55
Rot. Bonds6

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

(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one (PubChem CID 6103653) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one.

Molecular Properties

Compound Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one
PubChem CID6103653
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one
SMILESCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3OC)C2=O)c(OC)c1
InChIInChI=1S/C25H22N2O4/c1-29-19-14-13-18(23(16-19)31-3)15-20-25(28)27(21-11-7-8-12-22(21)30-2)24(26-20)17-9-5-4-6-10-17/h4-16H,1-3H3/b20-15+
InChIKeyQTBKBSYYOZXCLM-HMMYKYKNSA-N
XLogP4.55
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.55
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

3-(3-chloro-2-methylphenyl)-2-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]imidazol-4-one
CID 6617823
(5E)-5-benzylidene-3-(4-methoxy-2-nitrophenyl)-2-phenylimidazol-4-one
CID 7343823
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1380844
(5E)-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-5-[(2-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273988
6-[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-3H-quinazolin-4-one
CID 135434090
methyl 2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-4,5-dimethoxybenzoate
CID 102236152
2-[4-[(2-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]acetic acid
CID 5072268
5-[(4-methoxyphenyl)methylidene]-3-(3-methylphenyl)-2-phenylimidazol-4-one
CID 1275115
3-(2,4-dimethylphenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one
CID 6617680
5-benzylidene-3-(4-fluorophenyl)-2-(4-methoxyphenyl)imidazol-4-one
CID 71950639
5-[(3,4-diethoxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-phenylimidazol-4-one
CID 3709387

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one?
The IUPAC name of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one (CID 6103653) is (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one.
What is the SMILES notation for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one?
The canonical SMILES for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one is COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3OC)C2=O)c(OC)c1.
What is the InChIKey of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one?
The InChIKey is QTBKBSYYOZXCLM-HMMYKYKNSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-29-19-14-13-18(23(16-19)31-3)15-20-25(28)27(21-11-7-8-12-22(21)30-2)24(26-20)17-9-5-4-6-10-17/h4-16H,1-3H3/b20-15+.
What are the key properties of (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one?
(5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one has a molecular weight of 414.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2,4-dimethoxyphenyl)methylidene]-3-(2-methoxyphenyl)-2-phenylimidazol-4-one is sourced from PubChem (CID 6103653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).