5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one

C17H13ClN2O — CID 71951452

IUPAC5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
SMILESCN1C(=O)C(=Cc2ccc(Cl)cc2)N=C1c1ccccc1
InChIInChI=1S/C17H13ClN2O/c1-20-16(13-5-3-2-4-6-13)19-15(17(20)21)11-12-7-9-14(18)10-8-12/h2-11H,1H3
InChIKeyAZXAPGBEAVKAAT-UHFFFAOYSA-N
MW296.76 g/mol
LogP3.60
Rot. Bonds2

About 5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one

5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one (PubChem CID 71951452) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
PubChem CID71951452
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
SMILESCN1C(=O)C(=Cc2ccc(Cl)cc2)N=C1c1ccccc1
InChIInChI=1S/C17H13ClN2O/c1-20-16(13-5-3-2-4-6-13)19-15(17(20)21)11-12-7-9-14(18)10-8-12/h2-11H,1H3
InChIKeyAZXAPGBEAVKAAT-UHFFFAOYSA-N
XLogP3.60
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(4-chlorophenyl)methylidene]-3-[2-[(4E)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]ethyl]-2-phenylimidazol-4-one
CID 6532748
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one
CID 46898573
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
(5E)-5-benzylidene-3-[(E)-(4-chlorophenyl)methylideneamino]-2-phenylimidazol-4-one
CID 20845059
(5E)-5-[(4-chlorophenyl)methylidene]-3-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylimidazol-4-one
CID 11188186
sodium (E)-(1-methyl-5-oxo-2-phenylimidazol-4-ylidene)methanolate
CID 20731528
(5Z)-3-(2-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1275103
(5E)-2-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-(4-methoxyphenyl)imidazol-4-one
CID 126003616
N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide
CID 3895481
4-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-thiazol-5-one
CID 712140
(3Z)-3-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one
CID 135436176
3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one
CID 1047059

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one (CID 71951452) is 5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one is CN1C(=O)C(=Cc2ccc(Cl)cc2)N=C1c1ccccc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one?
The InChIKey is AZXAPGBEAVKAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-20-16(13-5-3-2-4-6-13)19-15(17(20)21)11-12-7-9-14(18)10-8-12/h2-11H,1H3.
What are the key properties of 5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one?
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one has a molecular weight of 296.76 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one is sourced from PubChem (CID 71951452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).