2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one

C12H12N2O2S — CID 135426543

IUPAC2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCCSC1=NC(=Cc2ccccc2O)C(=O)N1
InChIInChI=1S/C12H12N2O2S/c1-2-17-12-13-9(11(16)14-12)7-8-5-3-4-6-10(8)15/h3-7,15H,2H2,1H3,(H,13,14,16)
InChIKeyRLDBYMQMPJIPSX-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.97
Rot. Bonds2

About 2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one

2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one (PubChem CID 135426543) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one.

Molecular Properties

Compound Name2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one
PubChem CID135426543
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one
SMILESCCSC1=NC(=Cc2ccccc2O)C(=O)N1
InChIInChI=1S/C12H12N2O2S/c1-2-17-12-13-9(11(16)14-12)7-8-5-3-4-6-10(8)15/h3-7,15H,2H2,1H3,(H,13,14,16)
InChIKeyRLDBYMQMPJIPSX-UHFFFAOYSA-N
XLogP1.97
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-methylsulfanylimidazol-4-one
CID 78627955
(4Z)-2-methylsulfanyl-4-(pyridin-2-ylmethylidene)-1H-imidazol-5-one
CID 137201426
(4Z)-4-[(2-fluorophenyl)methylidene]-2-methyl-1H-imidazol-5-one
CID 136893560
ethyl 2-[[(4Z)-4-benzylidene-5-oxo-1H-imidazol-2-yl]sulfanyl]-3-oxobutanoate
CID 135611061
(5Z)-3-[3-(diethylamino)propyl]-2-ethylsulfanyl-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazol-3-ium-4-one
CID 53376586
(4Z)-4-[(2-chlorophenyl)methylidene]-2-(2-methylpropyl)-1H-imidazol-5-one
CID 136893880
2-[[(4Z)-4-[[4-[(E)-2-[4-[4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]anilino]phenyl]ethenyl]phenyl]methylidene]-5-oxo-1H-imidazol-2-yl]sulfanyl]acetic acid
CID 159374632
(5E)-5-[(2-hydroxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 5463400
(4Z)-4-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517619
(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
(4Z)-2-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136893739
(4Z)-4-[(2-iodophenyl)methylidene]-2-(4-methylphenyl)-1H-imidazol-5-one
CID 135517615

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The IUPAC name of 2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one (CID 135426543) is 2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one.
What is the SMILES notation for 2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The canonical SMILES for 2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one is CCSC1=NC(=Cc2ccccc2O)C(=O)N1.
What is the InChIKey of 2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
The InChIKey is RLDBYMQMPJIPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-2-17-12-13-9(11(16)14-12)7-8-5-3-4-6-10(8)15/h3-7,15H,2H2,1H3,(H,13,14,16).
What are the key properties of 2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one?
2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one has a molecular weight of 248.31 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one is sourced from PubChem (CID 135426543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).