1-acetyl-4-phenylsulfanylimidazolidin-2-one

C11H12N2O2S — CID 123543130

IUPAC1-acetyl-4-phenylsulfanylimidazolidin-2-one
SMILESCC(=O)N1CC(Sc2ccccc2)NC1=O
InChIInChI=1S/C11H12N2O2S/c1-8(14)13-7-10(12-11(13)15)16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,15)
InChIKeyAIXDLLPUTNXIDM-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.68
Rot. Bonds2

About 1-acetyl-4-phenylsulfanylimidazolidin-2-one

1-acetyl-4-phenylsulfanylimidazolidin-2-one (PubChem CID 123543130) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-acetyl-4-phenylsulfanylimidazolidin-2-one.

Molecular Properties

Compound Name1-acetyl-4-phenylsulfanylimidazolidin-2-one
PubChem CID123543130
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-acetyl-4-phenylsulfanylimidazolidin-2-one
SMILESCC(=O)N1CC(Sc2ccccc2)NC1=O
InChIInChI=1S/C11H12N2O2S/c1-8(14)13-7-10(12-11(13)15)16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,15)
InChIKeyAIXDLLPUTNXIDM-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-phenylsulfanylimidazolidin-2-one?
The IUPAC name of 1-acetyl-4-phenylsulfanylimidazolidin-2-one (CID 123543130) is 1-acetyl-4-phenylsulfanylimidazolidin-2-one.
What is the SMILES notation for 1-acetyl-4-phenylsulfanylimidazolidin-2-one?
The canonical SMILES for 1-acetyl-4-phenylsulfanylimidazolidin-2-one is CC(=O)N1CC(Sc2ccccc2)NC1=O.
What is the InChIKey of 1-acetyl-4-phenylsulfanylimidazolidin-2-one?
The InChIKey is AIXDLLPUTNXIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-8(14)13-7-10(12-11(13)15)16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,15).
What are the key properties of 1-acetyl-4-phenylsulfanylimidazolidin-2-one?
1-acetyl-4-phenylsulfanylimidazolidin-2-one has a molecular weight of 236.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-phenylsulfanylimidazolidin-2-one is sourced from PubChem (CID 123543130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).