2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one

C18H13ClN2O — CID 136665622

IUPAC2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)cc2)=NC1=CC=Cc1ccccc1
InChIInChI=1S/C18H13ClN2O/c19-15-11-9-14(10-12-15)17-20-16(18(22)21-17)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,21,22)
InChIKeyCACUWAUJSCAFEO-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.81
Rot. Bonds3

About 2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one

2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one (PubChem CID 136665622) has the molecular formula C18H13ClN2O and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one
PubChem CID136665622
Molecular FormulaC18H13ClN2O
Molecular Weight308.77 g/mol
Exact Mass308.07
IUPAC Name2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one
SMILESO=C1NC(c2ccc(Cl)cc2)=NC1=CC=Cc1ccccc1
InChIInChI=1S/C18H13ClN2O/c19-15-11-9-14(10-12-15)17-20-16(18(22)21-17)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,21,22)
InChIKeyCACUWAUJSCAFEO-UHFFFAOYSA-N
XLogP3.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)-4-cinnamylidene-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-(4-bromophenyl)-4-[(E)-3-phenylprop-2-enylidene]-1H-imidazol-5-one
CID 135443014
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629
(4E)-2-(4-chlorophenyl)-4-(pyridin-3-ylmethylidene)-1H-imidazol-5-one
CID 136893256
(4Z)-2-[(E)-2-(4-chlorophenyl)ethenyl]-4-[(E)-3-phenylprop-2-enylidene]-1,3-oxazol-5-one
CID 6390810
(4E)-2-(4-chlorophenyl)-4-(furan-2-ylmethylidene)-1H-imidazol-5-one
CID 136893093
3-(4-chlorophenyl)-4-cinnamylidene-1,2-oxazol-5-one
CID 685391
(4Z)-4-benzylidene-2-(4-chloro-3-nitrophenyl)-1H-imidazol-5-one
CID 135699336
4-[(4-chlorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one
CID 136665608
2-phenyl-4-(quinolin-2-ylmethylidene)-1H-imidazol-5-one
CID 171406127
2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914434
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895149
(4E)-4-benzylidene-2-[(4-chlorophenyl)methyl]-1H-imidazol-5-one
CID 136893375

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one (CID 136665622) is 2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one is O=C1NC(c2ccc(Cl)cc2)=NC1=CC=Cc1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one?
The InChIKey is CACUWAUJSCAFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O/c19-15-11-9-14(10-12-15)17-20-16(18(22)21-17)8-4-7-13-5-2-1-3-6-13/h1-12H,(H,20,21,22).
What are the key properties of 2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one?
2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one has a molecular weight of 308.77 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-cinnamylidene-1H-imidazol-5-one is sourced from PubChem (CID 136665622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).