(4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one

C18H15FN2O — CID 136894793

IUPAC(4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
SMILESO=C1NC(CCc2ccccc2)=N/C1=C/c1cccc(F)c1
InChIInChI=1S/C18H15FN2O/c19-15-8-4-7-14(11-15)12-16-18(22)21-17(20-16)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,21,22)/b16-12+
InChIKeyHHFFTICVJLWXEV-FOWTUZBSSA-N
MW294.33 g/mol
LogP3.33
Rot. Bonds4

About (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one

(4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one (PubChem CID 136894793) has the molecular formula C18H15FN2O and a molecular weight of 294.33 g/mol. Its IUPAC name is (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name(4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
PubChem CID136894793
Molecular FormulaC18H15FN2O
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name(4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
SMILESO=C1NC(CCc2ccccc2)=N/C1=C/c1cccc(F)c1
InChIInChI=1S/C18H15FN2O/c19-15-8-4-7-14(11-15)12-16-18(22)21-17(20-16)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,21,22)/b16-12+
InChIKeyHHFFTICVJLWXEV-FOWTUZBSSA-N
XLogP3.33
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-[(3-fluoro-4-methoxyphenyl)methylidene]-2-[2-(3-fluorophenyl)ethyl]-1H-imidazol-5-one
CID 136895123
(4Z)-4-[(2-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one
CID 136893590
(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-[2-(4-fluorophenyl)ethyl]-1H-imidazol-5-one
CID 136895336
(4E)-4-[(3-chlorophenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136893964
(4E)-4-benzylidene-2-[2-(2-fluorophenyl)ethyl]-1H-imidazol-5-one
CID 136893383
(4E)-4-[(3-methoxyphenyl)methylidene]-2-[2-(4-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136893809
(4E)-2-[2-(4-fluorophenyl)ethyl]-4-[(4-methoxy-3-methylphenyl)methylidene]-1H-imidazol-5-one
CID 136895234
(4E)-2-[2-(3-chlorophenyl)ethyl]-4-[(4-ethylphenyl)methylidene]-1H-imidazol-5-one
CID 136893706
(4E)-4-[(3-fluorophenyl)methylidene]-2-propan-2-yl-1H-imidazol-5-one
CID 136894760
(4E)-4-[(4-bromophenyl)methylidene]-2-[2-(3-chlorophenyl)ethyl]-1H-imidazol-5-one
CID 136894695
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-[2-(3-methylphenyl)ethyl]-1H-imidazol-5-one
CID 136894323
(4E)-4-benzylidene-2-[2-(3-fluorophenyl)ethyl]-1,3-oxazol-5-one
CID 108935994

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one?
The IUPAC name of (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one (CID 136894793) is (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one.
What is the SMILES notation for (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one?
The canonical SMILES for (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one is O=C1NC(CCc2ccccc2)=N/C1=C/c1cccc(F)c1.
What is the InChIKey of (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one?
The InChIKey is HHFFTICVJLWXEV-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H15FN2O/c19-15-8-4-7-14(11-15)12-16-18(22)21-17(20-16)10-9-13-5-2-1-3-6-13/h1-8,11-12H,9-10H2,(H,20,21,22)/b16-12+.
What are the key properties of (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one?
(4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one has a molecular weight of 294.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(3-fluorophenyl)methylidene]-2-(2-phenylethyl)-1H-imidazol-5-one is sourced from PubChem (CID 136894793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).