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

C14H15ClN2O — CID 136893880

IUPAC(4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
SMILESCC(C)CC1=N/C(=C\c2ccccc2Cl)C(=O)N1
InChIInChI=1S/C14H15ClN2O/c1-9(2)7-13-16-12(14(18)17-13)8-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)/b12-8-
InChIKeyAEQJLYPZVQXADI-WQLSENKSSA-N
MW262.74 g/mol
LogP3.26
Rot. Bonds3

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

(4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one (PubChem CID 136893880) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is (4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
PubChem CID136893880
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name(4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
SMILESCC(C)CC1=N/C(=C\c2ccccc2Cl)C(=O)N1
InChIInChI=1S/C14H15ClN2O/c1-9(2)7-13-16-12(14(18)17-13)8-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)/b12-8-
InChIKeyAEQJLYPZVQXADI-WQLSENKSSA-N
XLogP3.26
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-2-[2-(2-chlorophenyl)ethyl]-4-[(2-chlorophenyl)methylidene]-1H-imidazol-5-one
CID 136893914
(4Z)-2-[2-(3-chlorophenyl)ethyl]-4-[(2-chlorophenyl)methylidene]-1H-imidazol-5-one
CID 136893915
(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclopropyl-1H-imidazol-5-one
CID 136893879
(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
CID 136893922
(4E)-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
CID 136894868
(4Z)-4-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-1H-imidazol-5-one
CID 136893884
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(furan-2-yl)-1H-imidazol-5-one
CID 136893883
(4Z)-2-[(4-chlorophenyl)methyl]-4-[(2-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893587
(4E)-2-[2-(2-chlorophenyl)ethyl]-4-[(2,5-dimethoxy-4-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136894907
(4E)-2-[2-(2-chlorophenyl)ethyl]-4-[(5-fluoro-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895389
(4Z)-4-[(2-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
CID 136893590
5-[(2-chlorophenyl)methylidene]-1-(4-methylpentyl)-1,3-diazinane-2,4,6-trione
CID 754883

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one (CID 136893880) is (4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one is CC(C)CC1=N/C(=C\c2ccccc2Cl)C(=O)N1.
What is the InChIKey of (4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one?
The InChIKey is AEQJLYPZVQXADI-WQLSENKSSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-9(2)7-13-16-12(14(18)17-13)8-10-5-3-4-6-11(10)15/h3-6,8-9H,7H2,1-2H3,(H,16,17,18)/b12-8-.
What are the key properties of (4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one?
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one has a molecular weight of 262.74 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one is sourced from PubChem (CID 136893880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).