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

C23H17FN2O — CID 1047059

IUPAC3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccc(F)cc2)N=C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H17FN2O/c24-20-13-11-17(12-14-20)15-21-23(27)26(16-18-7-3-1-4-8-18)22(25-21)19-9-5-2-6-10-19/h1-15H,16H2
InChIKeyYFWNKNJAFPOOGD-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.66
Rot. Bonds4

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

3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one (PubChem CID 1047059) has the molecular formula C23H17FN2O and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one.

Molecular Properties

Compound Name3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one
PubChem CID1047059
Molecular FormulaC23H17FN2O
Molecular Weight356.40 g/mol
Exact Mass356.13
IUPAC Name3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one
SMILESO=C1C(=Cc2ccc(F)cc2)N=C(c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C23H17FN2O/c24-20-13-11-17(12-14-20)15-21-23(27)26(16-18-7-3-1-4-8-18)22(25-21)19-9-5-2-6-10-19/h1-15H,16H2
InChIKeyYFWNKNJAFPOOGD-UHFFFAOYSA-N
XLogP4.66
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.66
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
3-benzyl-5-[(3,4-diethoxyphenyl)methylidene]-2-(4-methylphenyl)imidazol-4-one
CID 5160309
(5E)-5-[(2-hydroxyphenyl)methylidene]-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
CID 70689732
(5E)-5-ethylidene-2-phenyl-3-(pyridin-4-ylmethyl)imidazol-4-one
CID 70681332
5-[(4-chlorophenyl)methylidene]-3-methyl-2-phenylimidazol-4-one
CID 71951452
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-phenylimidazol-4-one
CID 6014630
(5Z)-3-(4-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-phenylimidazol-4-one
CID 2270690
1-benzyl-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]pyrrol-2-one
CID 74927692
3-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylidene]-2-methylsulfanylimidazol-4-one
CID 2726724
(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
CID 44817312
(5Z)-3-benzyl-5-[(4-fluorophenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 11278827
4-[(4Z)-4-[(4-bromophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]butanoic acid
CID 134824256

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one?
The IUPAC name of 3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one (CID 1047059) is 3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one.
What is the SMILES notation for 3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one?
The canonical SMILES for 3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one is O=C1C(=Cc2ccc(F)cc2)N=C(c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one?
The InChIKey is YFWNKNJAFPOOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O/c24-20-13-11-17(12-14-20)15-21-23(27)26(16-18-7-3-1-4-8-18)22(25-21)19-9-5-2-6-10-19/h1-15H,16H2.
What are the key properties of 3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one?
3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one has a molecular weight of 356.40 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[(4-fluorophenyl)methylidene]-2-phenylimidazol-4-one is sourced from PubChem (CID 1047059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).