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

C14H13ClN2O — CID 136893922

IUPAC(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
SMILESO=C1NC(C2CCC2)=N/C1=C\c1ccccc1Cl
InChIInChI=1S/C14H13ClN2O/c15-11-7-2-1-4-10(11)8-12-14(18)17-13(16-12)9-5-3-6-9/h1-2,4,7-9H,3,5-6H2,(H,16,17,18)/b12-8-
InChIKeyXHPRPWFTQMANIE-WQLSENKSSA-N
MW260.72 g/mol
LogP3.01
Rot. Bonds2

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

(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one (PubChem CID 136893922) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is (4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
PubChem CID136893922
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
SMILESO=C1NC(C2CCC2)=N/C1=C\c1ccccc1Cl
InChIInChI=1S/C14H13ClN2O/c15-11-7-2-1-4-10(11)8-12-14(18)17-13(16-12)9-5-3-6-9/h1-2,4,7-9H,3,5-6H2,(H,16,17,18)/b12-8-
InChIKeyXHPRPWFTQMANIE-WQLSENKSSA-N
XLogP3.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.01
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-cyclobutyl-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)-4-[(2-chlorophenyl)methylidene]-2-cyclopropyl-1H-imidazol-5-one
CID 136893879
(4Z)-2-cyclobutyl-4-[(2,4-dichlorophenyl)methylidene]-1H-imidazol-5-one
CID 136895292
(4E)-2-cyclopentyl-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893767
(4E)-2-cyclobutyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 136893231
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
CID 136893880
(4E)-4-[(3-bromophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one
CID 136894648
(4Z)-2-cyclobutyl-4-[(2,4,6-trimethylphenyl)methylidene]-1H-imidazol-5-one
CID 136895662
(4E)-4-benzylidene-2-(oxan-4-yl)-1H-imidazol-5-one
CID 136893396
(4E)-2-cyclobutyl-4-[(5-ethyl-2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895826
(4Z)-2-cyclobutyl-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895880
(4Z)-4-[(2-chlorophenyl)methylidene]-2-thiophen-2-yl-1H-imidazol-5-one
CID 136893884
(4Z)-2-[2-(2-chlorophenyl)ethyl]-4-[(2-chlorophenyl)methylidene]-1H-imidazol-5-one
CID 136893914

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one?
The IUPAC name of (4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one (CID 136893922) is (4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one.
What is the SMILES notation for (4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one?
The canonical SMILES for (4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one is O=C1NC(C2CCC2)=N/C1=C\c1ccccc1Cl.
What is the InChIKey of (4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one?
The InChIKey is XHPRPWFTQMANIE-WQLSENKSSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-11-7-2-1-4-10(11)8-12-14(18)17-13(16-12)9-5-3-6-9/h1-2,4,7-9H,3,5-6H2,(H,16,17,18)/b12-8-.
What are the key properties of (4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one?
(4Z)-4-[(2-chlorophenyl)methylidene]-2-cyclobutyl-1H-imidazol-5-one has a molecular weight of 260.72 g/mol, XLogP of 3.01, 2 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-cyclobutyl-1H-imidazol-5-one is sourced from PubChem (CID 136893922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).