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

C18H16N2O2 — CID 136893529

IUPAC(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2)cc1
InChIInChI=1S/C18H16N2O2/c1-12-3-5-13(6-4-12)11-16-18(21)20-17(19-16)14-7-9-15(22-2)10-8-14/h3-11H,1-2H3,(H,19,20,21)/b16-11+
InChIKeyIPXHDHWAPITLRX-LFIBNONCSA-N
MW292.34 g/mol
LogP2.92
Rot. Bonds3

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

(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136893529) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136893529
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCOc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2)cc1
InChIInChI=1S/C18H16N2O2/c1-12-3-5-13(6-4-12)11-16-18(21)20-17(19-16)14-7-9-15(22-2)10-8-14/h3-11H,1-2H3,(H,19,20,21)/b16-11+
InChIKeyIPXHDHWAPITLRX-LFIBNONCSA-N
XLogP2.92
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-[(4-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135443011
4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135485408
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893825
(4Z)-4-[(2,4-dimethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517623
(4E)-4-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluorophenyl)-1H-imidazol-5-one
CID 136895902
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one
CID 2817107
(4E)-2-(2-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135517587
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517616

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one (CID 136893529) is (4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one is COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2)cc1.
What is the InChIKey of (4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is IPXHDHWAPITLRX-LFIBNONCSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-3-5-13(6-4-12)11-16-18(21)20-17(19-16)14-7-9-15(22-2)10-8-14/h3-11H,1-2H3,(H,19,20,21)/b16-11+.
What are the key properties of (4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 292.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(4-methoxyphenyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136893529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).