1-benzoyl-2-sulfanylideneimidazolidin-4-one

C10H8N2O2S — CID 949912

IUPAC1-benzoyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(C(=O)c2ccccc2)C(=S)N1
InChIInChI=1S/C10H8N2O2S/c13-8-6-12(10(15)11-8)9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15)
InChIKeyYTMVOQHVLQJLML-UHFFFAOYSA-N
MW220.25 g/mol
LogP0.54
Rot. Bonds1

About 1-benzoyl-2-sulfanylideneimidazolidin-4-one

1-benzoyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 949912) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-benzoyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name1-benzoyl-2-sulfanylideneimidazolidin-4-one
PubChem CID949912
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name1-benzoyl-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CN(C(=O)c2ccccc2)C(=S)N1
InChIInChI=1S/C10H8N2O2S/c13-8-6-12(10(15)11-8)9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15)
InChIKeyYTMVOQHVLQJLML-UHFFFAOYSA-N
XLogP0.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 1-benzoyl-2-sulfanylideneimidazolidin-4-one (CID 949912) is 1-benzoyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 1-benzoyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 1-benzoyl-2-sulfanylideneimidazolidin-4-one is O=C1CN(C(=O)c2ccccc2)C(=S)N1.
What is the InChIKey of 1-benzoyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is YTMVOQHVLQJLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c13-8-6-12(10(15)11-8)9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15).
What are the key properties of 1-benzoyl-2-sulfanylideneimidazolidin-4-one?
1-benzoyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 220.25 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 949912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).