3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one

C11H12N2O2S — CID 57221557

IUPAC3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(O)cn1CSCc1ccccc1
InChIInChI=1S/C11H12N2O2S/c14-10-6-13(11(15)12-10)8-16-7-9-4-2-1-3-5-9/h1-6,14H,7-8H2,(H,12,15)
InChIKeyIIUQURWMDQEXHX-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.77
Rot. Bonds4

About 3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one

3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one (PubChem CID 57221557) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one
PubChem CID57221557
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one
SMILESO=c1[nH]c(O)cn1CSCc1ccccc1
InChIInChI=1S/C11H12N2O2S/c14-10-6-13(11(15)12-10)8-16-7-9-4-2-1-3-5-9/h1-6,14H,7-8H2,(H,12,15)
InChIKeyIIUQURWMDQEXHX-UHFFFAOYSA-N
XLogP1.77
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzylsulfanylmethyl)-5-cyclopropyl-4-hydroxy-1H-imidazol-2-one
CID 90920142
1-benzyl-5-hydroxypyrimidine-2,4-dione
CID 130005673
(5R)-1-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
CID 142664147
4-(2-benzylsulfanylacetyl)piperazine-2,6-dione
CID 66082954
2-benzylsulfanyl-N-phenylacetamide
CID 584914
5-(benzylsulfanylmethyl)-4-hydroxy-3-phenyl-1H-imidazole-2-thione
CID 54386359
1-benzyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79014884
1-benzyl-4-sulfanylidenepyrimidin-2-one
CID 91621363
5-fluoro-1-(2-oxo-3-phenylpropyl)pyrimidine-2,4-dione
CID 55219097
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
2-[(4-phenylphenyl)methylsulfanylmethyl]isoindole-1,3-dione
CID 15147130
3-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017227

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one?
The IUPAC name of 3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one (CID 57221557) is 3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one.
What is the SMILES notation for 3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one?
The canonical SMILES for 3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one is O=c1[nH]c(O)cn1CSCc1ccccc1.
What is the InChIKey of 3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one?
The InChIKey is IIUQURWMDQEXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-10-6-13(11(15)12-10)8-16-7-9-4-2-1-3-5-9/h1-6,14H,7-8H2,(H,12,15).
What are the key properties of 3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one?
3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one has a molecular weight of 236.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfanylmethyl)-5-hydroxy-1H-imidazol-2-one is sourced from PubChem (CID 57221557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).