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

C12H12N2O2 — CID 136893825

IUPAC(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
SMILESCOc1ccc(/C=C2/N=C(C)NC2=O)cc1
InChIInChI=1S/C12H12N2O2/c1-8-13-11(12(15)14-8)7-9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15)/b11-7+
InChIKeyAJAOJNAMINQHIA-YRNVUSSQSA-N
MW216.24 g/mol
LogP1.58
Rot. Bonds2

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

(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one (PubChem CID 136893825) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is (4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
PubChem CID136893825
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
SMILESCOc1ccc(/C=C2/N=C(C)NC2=O)cc1
InChIInChI=1S/C12H12N2O2/c1-8-13-11(12(15)14-8)7-9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15)/b11-7+
InChIKeyAJAOJNAMINQHIA-YRNVUSSQSA-N
XLogP1.58
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.58
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

4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 137309259
(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)-2-(2-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 135517587
5-[(4-methoxyphenyl)methylidene]-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one
CID 2817107
(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136894129
(4E)-4-[(3-ethoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136894136
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)ethyl]-1H-imidazol-5-one
CID 136895339
(4E)-2-propan-2-yl-4-[(4-propan-2-yloxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895030
4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135485408
(4Z)-4-[(4-methoxyphenyl)methylidene]-2-[(2E)-2-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentylidene]hydrazinyl]-1H-imidazol-5-one
CID 135536814

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one (CID 136893825) is (4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one is COc1ccc(/C=C2/N=C(C)NC2=O)cc1.
What is the InChIKey of (4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one?
The InChIKey is AJAOJNAMINQHIA-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-13-11(12(15)14-8)7-9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15)/b11-7+.
What are the key properties of (4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one?
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one has a molecular weight of 216.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one is sourced from PubChem (CID 136893825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).