(4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one

C20H20N2O4 — CID 136895219

IUPAC(4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(/C=C2/N=C(c3ccc(OC)c(OC)c3)NC2=O)cc1C
InChIInChI=1S/C20H20N2O4/c1-12-9-13(5-7-16(12)24-2)10-15-20(23)22-19(21-15)14-6-8-17(25-3)18(11-14)26-4/h5-11H,1-4H3,(H,21,22,23)/b15-10+
InChIKeyAEZOQMGIGLERQV-XNTDXEJSSA-N
MW352.39 g/mol
LogP2.94
Rot. Bonds5

About (4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one

(4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136895219) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136895219
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(/C=C2/N=C(c3ccc(OC)c(OC)c3)NC2=O)cc1C
InChIInChI=1S/C20H20N2O4/c1-12-9-13(5-7-16(12)24-2)10-15-20(23)22-19(21-15)14-6-8-17(25-3)18(11-14)26-4/h5-11H,1-4H3,(H,21,22,23)/b15-10+
InChIKeyAEZOQMGIGLERQV-XNTDXEJSSA-N
XLogP2.94
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894308
(4E)-2-ethyl-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895193
(4E)-2-(3,4-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895373
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895684
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895149
(4E)-2-(4-fluorophenyl)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895739
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-(3,5-dimethoxyphenyl)-1H-imidazol-5-one
CID 136895166
(4E)-4-[(3-ethyl-4-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895677
(4E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-(3,4-dimethylphenyl)-1H-imidazol-5-one
CID 136894365
(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893529
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135443011
(4E)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895732

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one (CID 136895219) is (4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one is COc1ccc(/C=C2/N=C(c3ccc(OC)c(OC)c3)NC2=O)cc1C.
What is the InChIKey of (4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is AEZOQMGIGLERQV-XNTDXEJSSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12-9-13(5-7-16(12)24-2)10-15-20(23)22-19(21-15)14-6-8-17(25-3)18(11-14)26-4/h5-11H,1-4H3,(H,21,22,23)/b15-10+.
What are the key properties of (4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 352.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(3,4-dimethoxyphenyl)-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136895219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).