(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one

C18H16N2O3 — CID 136893739

IUPAC(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-14-9-7-12(8-10-14)17-19-15(18(21)20-17)11-13-5-3-4-6-16(13)23-2/h3-11H,1-2H3,(H,19,20,21)/b15-11-
InChIKeyCAOBHDIITZXSKQ-PTNGSMBKSA-N
MW308.34 g/mol
LogP2.62
Rot. Bonds4

About (4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one

(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136893739) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136893739
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2)cc1
InChIInChI=1S/C18H16N2O3/c1-22-14-9-7-12(8-10-14)17-19-15(18(21)20-17)11-13-5-3-4-6-16(13)23-2/h3-11H,1-2H3,(H,19,20,21)/b15-11-
InChIKeyCAOBHDIITZXSKQ-PTNGSMBKSA-N
XLogP2.62
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517623
(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
(4Z)-2-(4-fluorophenyl)-4-[(2,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894831
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(2-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893427
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895369
2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 3875763
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895842
(4E)-2-(3,4-dimethoxyphenyl)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895373
(4E)-4-[(2-methoxy-5-methylphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136895424
(4E)-4-[(5-fluoro-2-methoxyphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895357

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one (CID 136893739) is (4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one is COc1ccc(C2=N/C(=C\c3ccccc3OC)C(=O)N2)cc1.
What is the InChIKey of (4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is CAOBHDIITZXSKQ-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-14-9-7-12(8-10-14)17-19-15(18(21)20-17)11-13-5-3-4-6-16(13)23-2/h3-11H,1-2H3,(H,19,20,21)/b15-11-.
What are the key properties of (4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 308.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136893739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).