3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one

C11H11ClN2O2S — CID 11334740

IUPAC3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one
SMILESCON1CC(=O)N(c2cc(Cl)ccc2C)C1=S
InChIInChI=1S/C11H11ClN2O2S/c1-7-3-4-8(12)5-9(7)14-10(15)6-13(16-2)11(14)17/h3-5H,6H2,1-2H3
InChIKeySLPRLZXZWPDBSY-UHFFFAOYSA-N
MW270.74 g/mol
LogP2.14
Rot. Bonds2

About 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one

3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one (PubChem CID 11334740) has the molecular formula C11H11ClN2O2S and a molecular weight of 270.74 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one
PubChem CID11334740
Molecular FormulaC11H11ClN2O2S
Molecular Weight270.74 g/mol
Exact Mass270.02
IUPAC Name3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one
SMILESCON1CC(=O)N(c2cc(Cl)ccc2C)C1=S
InChIInChI=1S/C11H11ClN2O2S/c1-7-3-4-8(12)5-9(7)14-10(15)6-13(16-2)11(14)17/h3-5H,6H2,1-2H3
InChIKeySLPRLZXZWPDBSY-UHFFFAOYSA-N
XLogP2.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one (CID 11334740) is 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one is CON1CC(=O)N(c2cc(Cl)ccc2C)C1=S.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SLPRLZXZWPDBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2S/c1-7-3-4-8(12)5-9(7)14-10(15)6-13(16-2)11(14)17/h3-5H,6H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one?
3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one has a molecular weight of 270.74 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)-1-methoxy-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 11334740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).