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

C24H17FN2O2S — CID 3409383

IUPAC5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one
SMILESO=C(CSC1=NC(=Cc2ccc(F)cc2)C(=O)N1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17FN2O2S/c25-19-13-11-17(12-14-19)15-21-23(29)27(20-9-5-2-6-10-20)24(26-21)30-16-22(28)18-7-3-1-4-8-18/h1-15H,16H2
InChIKeyHXOVBFCYGUJXAD-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.19
Rot. Bonds5

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

5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one (PubChem CID 3409383) has the molecular formula C24H17FN2O2S and a molecular weight of 416.48 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one
PubChem CID3409383
Molecular FormulaC24H17FN2O2S
Molecular Weight416.48 g/mol
Exact Mass416.10
IUPAC Name5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one
SMILESO=C(CSC1=NC(=Cc2ccc(F)cc2)C(=O)N1c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17FN2O2S/c25-19-13-11-17(12-14-19)15-21-23(29)27(20-9-5-2-6-10-20)24(26-21)30-16-22(28)18-7-3-1-4-8-18/h1-15H,16H2
InChIKeyHXOVBFCYGUJXAD-UHFFFAOYSA-N
XLogP5.19
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(4-methoxyphenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one;hydrobromide
CID 22693836
(5Z)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-phenylimidazol-4-one
CID 6513053
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(4-methylphenyl)-5-[(4-propan-2-ylphenyl)methylidene]imidazol-4-one
CID 3346801
4-[2-[(4E)-4-[(4-fluorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetyl]-3-methyl-2H-oxadiazol-3-ium-5-one
CID 53290695
(5E)-5-benzylidene-2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazol-4-one
CID 16544038
(5Z)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
CID 125117914
methyl 4-[[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanylmethyl]benzoate
CID 6103638
2-[4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 5034992
5-benzylidene-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazol-4-one
CID 4816419
2-[4-benzylidene-1-(4-fluorophenyl)-5-oxoimidazol-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 4645830
5-benzylidene-3-(4-fluorophenyl)-2-(2-phenoxyethylsulfanyl)imidazol-4-one
CID 5138592
N-(3-ethyloxadiazol-3-ium-5-yl)-2-[(4E)-4-[(4-fluorophenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetamide
CID 53294917

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one (CID 3409383) is 5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one is O=C(CSC1=NC(=Cc2ccc(F)cc2)C(=O)N1c1ccccc1)c1ccccc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one?
The InChIKey is HXOVBFCYGUJXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O2S/c25-19-13-11-17(12-14-19)15-21-23(29)27(20-9-5-2-6-10-20)24(26-21)30-16-22(28)18-7-3-1-4-8-18/h1-15H,16H2.
What are the key properties of 5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one?
5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one has a molecular weight of 416.48 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylidene]-2-phenacylsulfanyl-3-phenylimidazol-4-one is sourced from PubChem (CID 3409383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).