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

C12H12N2O — CID 137309259

IUPAC(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCC1=N/C(=C\c2ccc(C)cc2)C(=O)N1
InChIInChI=1S/C12H12N2O/c1-8-3-5-10(6-4-8)7-11-12(15)14-9(2)13-11/h3-7H,1-2H3,(H,13,14,15)/b11-7-
InChIKeyRNKOELOHKJSXAE-XFFZJAGNSA-N
MW200.24 g/mol
LogP1.88
Rot. Bonds1

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

(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 137309259) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID137309259
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
SMILESCC1=N/C(=C\c2ccc(C)cc2)C(=O)N1
InChIInChI=1S/C12H12N2O/c1-8-3-5-10(6-4-8)7-11-12(15)14-9(2)13-11/h3-7H,1-2H3,(H,13,14,15)/b11-7-
InChIKeyRNKOELOHKJSXAE-XFFZJAGNSA-N
XLogP1.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893825
4-[(4-methoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 137221885
(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
4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135485408
2-(2-benzylidenehydrazinyl)-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 135489854
(5E)-5-benzylidene-3-methyl-1,2-dihydro-1,2,4-triazin-6-one
CID 17463875
(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893560
(4E)-2-[2-(furan-2-yl)ethyl]-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136893541
(4E)-4-[(3-ethoxyphenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136894136
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
(4Z)-4-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517616

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one (CID 137309259) is (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one is CC1=N/C(=C\c2ccc(C)cc2)C(=O)N1.
What is the InChIKey of (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is RNKOELOHKJSXAE-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H12N2O/c1-8-3-5-10(6-4-8)7-11-12(15)14-9(2)13-11/h3-7H,1-2H3,(H,13,14,15)/b11-7-.
What are the key properties of (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one?
(4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 200.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-methyl-4-[(4-methylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 137309259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).