3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one

C10H9ClN2OS — CID 2726678

IUPAC3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2OS/c11-8-3-1-7(2-4-8)6-13-9(14)5-12-10(13)15/h1-4H,5-6H2,(H,12,15)
InChIKeyTZLLCZXBMIFSSL-UHFFFAOYSA-N
MW240.72 g/mol
LogP1.56
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one

3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 2726678) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID2726678
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one
SMILESO=C1CNC(=S)N1Cc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClN2OS/c11-8-3-1-7(2-4-8)6-13-9(14)5-12-10(13)15/h1-4H,5-6H2,(H,12,15)
InChIKeyTZLLCZXBMIFSSL-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one (CID 2726678) is 3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one is O=C1CNC(=S)N1Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is TZLLCZXBMIFSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-8-3-1-7(2-4-8)6-13-9(14)5-12-10(13)15/h1-4H,5-6H2,(H,12,15).
What are the key properties of 3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one?
3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 240.72 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2726678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).