5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one

C12H12N2O2S — CID 78627955

IUPAC5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one
SMILESCSC1=NC(=Cc2ccccc2O)C(=O)N1C
InChIInChI=1S/C12H12N2O2S/c1-14-11(16)9(13-12(14)17-2)7-8-5-3-4-6-10(8)15/h3-7,15H,1-2H3
InChIKeyIEKRDCQOBQGBJZ-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.92
Rot. Bonds1

About 5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one

5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one (PubChem CID 78627955) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one.

Molecular Properties

Compound Name5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one
PubChem CID78627955
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one
SMILESCSC1=NC(=Cc2ccccc2O)C(=O)N1C
InChIInChI=1S/C12H12N2O2S/c1-14-11(16)9(13-12(14)17-2)7-8-5-3-4-6-10(8)15/h3-7,15H,1-2H3
InChIKeyIEKRDCQOBQGBJZ-UHFFFAOYSA-N
XLogP1.92
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-(1-benzofuran-3-ylmethylidene)-3-methyl-2-methylsulfanylimidazol-4-one
CID 71299847
(5E)-3-methyl-2-methylsulfanyl-5-[(4-oxochromen-3-yl)methylidene]imidazol-4-one
CID 50908837
(5Z)-5-[(2-chlorophenyl)methylidene]-3-(dimethylamino)-2-methylsulfanylimidazol-4-one
CID 6148845
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 19260734
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-[2-[(4E)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-sulfanylideneethanethioyl]-2-phenylimidazol-4-one
CID 45041856
N-[2-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]phenyl]acetamide
CID 102114892
(3E)-3-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one
CID 135426543
(5Z)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 5415539
3-[(Z)-(1,2-dimethyl-5-oxoimidazol-4-ylidene)methyl]-4-hydroxybenzonitrile
CID 56648882
(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
CID 58825310
2-[(4Z)-4-[(2-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanylacetic acid
CID 53269869

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one?
The IUPAC name of 5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one (CID 78627955) is 5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one.
What is the SMILES notation for 5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one?
The canonical SMILES for 5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one is CSC1=NC(=Cc2ccccc2O)C(=O)N1C.
What is the InChIKey of 5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one?
The InChIKey is IEKRDCQOBQGBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-14-11(16)9(13-12(14)17-2)7-8-5-3-4-6-10(8)15/h3-7,15H,1-2H3.
What are the key properties of 5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one?
5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one has a molecular weight of 248.31 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one is sourced from PubChem (CID 78627955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).