(4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one

C19H17ClN2O — CID 136894052

IUPAC(4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
SMILESCC(C)c1ccc(/C=C2/N=C(c3cccc(Cl)c3)NC2=O)cc1
InChIInChI=1S/C19H17ClN2O/c1-12(2)14-8-6-13(7-9-14)10-17-19(23)22-18(21-17)15-4-3-5-16(20)11-15/h3-12H,1-2H3,(H,21,22,23)/b17-10+
InChIKeyPJNWPDRLEDPPRR-LICLKQGHSA-N
MW324.81 g/mol
LogP4.38
Rot. Bonds3

About (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one

(4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 136894052) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
PubChem CID136894052
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name(4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
SMILESCC(C)c1ccc(/C=C2/N=C(c3cccc(Cl)c3)NC2=O)cc1
InChIInChI=1S/C19H17ClN2O/c1-12(2)14-8-6-13(7-9-14)10-17-19(23)22-18(21-17)15-4-3-5-16(20)11-15/h3-12H,1-2H3,(H,21,22,23)/b17-10+
InChIKeyPJNWPDRLEDPPRR-LICLKQGHSA-N
XLogP4.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-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

2-(3-chlorophenyl)-4-[(3-phenoxyphenyl)methylidene]-1H-imidazol-5-one
CID 176914434
4-[(4-chlorophenyl)methylidene]-2-(3-nitrophenyl)-1H-imidazol-5-one
CID 136665608
2-(2-chloro-5-iodophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 135486434
(4E)-2-(4-chlorophenyl)-4-[(4-fluorophenyl)methylidene]-1H-imidazol-5-one
CID 136893629
(4Z)-4-[(2-methoxy-5-propan-2-ylphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895842
(4Z)-4-benzylidene-2-(4-chloro-3-nitrophenyl)-1H-imidazol-5-one
CID 135699336
(4E)-4-[(3-chloro-4-methoxyphenyl)methylidene]-2-phenyl-1H-imidazol-5-one
CID 136895149
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1H-imidazol-5-one
CID 136894308
(4E)-2-[2-(3-chlorophenyl)ethyl]-4-[(4-ethylphenyl)methylidene]-1H-imidazol-5-one
CID 136893706
2-(4-bromophenyl)-4-[(4-bromophenyl)methylidene]-1H-imidazol-5-one
CID 135500373
(4E)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-2-pyridin-4-yl-1H-imidazol-5-one
CID 136895732
(4E)-2-(4-fluorophenyl)-4-[(4-methoxy-3-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one
CID 136895739

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one (CID 136894052) is (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one is CC(C)c1ccc(/C=C2/N=C(c3cccc(Cl)c3)NC2=O)cc1.
What is the InChIKey of (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is PJNWPDRLEDPPRR-LICLKQGHSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-12(2)14-8-6-13(7-9-14)10-17-19(23)22-18(21-17)15-4-3-5-16(20)11-15/h3-12H,1-2H3,(H,21,22,23)/b17-10+.
What are the key properties of (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one?
(4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 324.81 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(3-chlorophenyl)-4-[(4-propan-2-ylphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 136894052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).