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

C22H14ClFN2O — CID 2732485

IUPAC5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C22H14ClFN2O/c23-17-8-6-15(7-9-17)14-20-22(27)26(19-12-10-18(24)11-13-19)21(25-20)16-4-2-1-3-5-16/h1-14H
InChIKeyMHWGWLVCFMNQGK-UHFFFAOYSA-N
MW376.82 g/mol
LogP5.31
Rot. Bonds3

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

5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one (PubChem CID 2732485) has the molecular formula C22H14ClFN2O and a molecular weight of 376.82 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one
PubChem CID2732485
Molecular FormulaC22H14ClFN2O
Molecular Weight376.82 g/mol
Exact Mass376.08
IUPAC Name5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(F)cc1
InChIInChI=1S/C22H14ClFN2O/c23-17-8-6-15(7-9-17)14-20-22(27)26(19-12-10-18(24)11-13-19)21(25-20)16-4-2-1-3-5-16/h1-14H
InChIKeyMHWGWLVCFMNQGK-UHFFFAOYSA-N
XLogP5.31
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.82
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_G(10)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[2-(4-Chlorophenyl)-5-oxo-4-(4-trifluoromethylbenzylidene)-4,5-dihydroimidazol-1-yl]-benzenesulfonamide (10b)
CID 126842935
3-(4-Chloro-phenyl)-4-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-4H-[1,2,4]oxadiazol-5-one
CID 656224
(E)-3-(4-chlorophenyl)-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 137659344
(E)-4-[4-(4-Chlorobenzylidene)-2-(4-chlorophenyl)-5-oxo-4,5-dihydroimidazol-1-yl]-benzene-sulfonamide (10g)
CID 126842940
(5Z)-5-[(4-chlorophenyl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 5892306
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2-phenyl-
CID 3021389
4(3H)-Pyrimidinone, 3-(5-chloro-2-methylphenyl)-2-phenyl-
CID 3021392
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-2,6-diphenyl-
CID 3021396
4(3H)-Pyrimidinone, 3-(2-chlorophenyl)-6-methyl-2-phenyl-
CID 3021400
5-((2-Chlorophenyl)methylene)-3-phenyl-2-selenoxo-4-imidazolidinone
CID 6435336
5-((2-Chlorophenyl)methylene)-3-(4-methylphenyl)-2-selenoxo-4-imidazolidinone
CID 6435338
5-((3-Chlorophenyl)methylene)-3-phenyl-2-selenoxo-4-imidazolidinone
CID 6435339

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one?
The IUPAC name of 5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one (CID 2732485) is 5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one.
What is the SMILES notation for 5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one?
The canonical SMILES for 5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one is O=C1C(=Cc2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(F)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one?
The InChIKey is MHWGWLVCFMNQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O/c23-17-8-6-15(7-9-17)14-20-22(27)26(19-12-10-18(24)11-13-19)21(25-20)16-4-2-1-3-5-16/h1-14H.
What are the key properties of 5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one?
5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one has a molecular weight of 376.82 g/mol, XLogP of 5.31, 3 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-(4-fluorophenyl)-2-phenylimidazol-4-one is sourced from PubChem (CID 2732485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).