5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

C11H12N2O2S — CID 3034589

IUPAC5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCC(O)C1NC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C11H12N2O2S/c1-7(14)9-10(15)13(11(16)12-9)8-5-3-2-4-6-8/h2-7,9,14H,1H3,(H,12,16)
InChIKeyZPBWLZAKZOHLOP-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.66
Rot. Bonds2

About 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one

5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 3034589) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
PubChem CID3034589
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one
SMILESCC(O)C1NC(=S)N(c2ccccc2)C1=O
InChIInChI=1S/C11H12N2O2S/c1-7(14)9-10(15)13(11(16)12-9)8-5-3-2-4-6-8/h2-7,9,14H,1H3,(H,12,16)
InChIKeyZPBWLZAKZOHLOP-UHFFFAOYSA-N
XLogP0.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetic acid
CID 2871997
5-Methyl-3-phenyl-2-thioxoimidazolidin-4-one
CID 2872314
4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 2-cyclopentylamide 1-phenylamide
CID 3231144
3-Phenyl-5-(propan-2-yl)-2-sulfanyl-3,5-dihydro-4H-imidazol-4-one
CID 2831422
5-(Hydroxymethyl)-3-phenyl-2-thioxoimidazolidin-4-one
CID 3034588
5-Oxo-1-phenyl-2-thioxoimidazolidine-4-propionamide
CID 3034583
5-Hydroxy-4-methyl-1-phenylimidazolidin-2-one
CID 13109365
5-Oxo-1-phenyl-2-thioxo-4-imidazolidineacetamide
CID 3034582
2-[N-(2-hydroxypropyl)anilino]-N-(methylcarbamoyl)acetamide
CID 51106342
N-(ethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106344
2-[N-(2-hydroxypropyl)anilino]-N-(propylcarbamoyl)acetamide
CID 53544208
1-[[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]methyl]-3-phenylthiourea
CID 145973313

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one (CID 3034589) is 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is CC(O)C1NC(=S)N(c2ccccc2)C1=O.
What is the InChIKey of 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ZPBWLZAKZOHLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-7(14)9-10(15)13(11(16)12-9)8-5-3-2-4-6-8/h2-7,9,14H,1H3,(H,12,16).
What are the key properties of 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one?
5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyethyl)-3-phenyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 3034589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).