3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one

C11H11ClN2OS — CID 11736931

IUPAC3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1CC(=O)N(Cc2ccccc2Cl)C1=S
InChIInChI=1S/C11H11ClN2OS/c1-13-7-10(15)14(11(13)16)6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3
InChIKeyPISCVEUXODWWIW-UHFFFAOYSA-N
MW254.74 g/mol
LogP1.90
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one

3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 11736931) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one
PubChem CID11736931
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one
SMILESCN1CC(=O)N(Cc2ccccc2Cl)C1=S
InChIInChI=1S/C11H11ClN2OS/c1-13-7-10(15)14(11(13)16)6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3
InChIKeyPISCVEUXODWWIW-UHFFFAOYSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(2-chlorophenyl)methyl]-1-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-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one (CID 11736931) is 3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one is CN1CC(=O)N(Cc2ccccc2Cl)C1=S.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is PISCVEUXODWWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-13-7-10(15)14(11(13)16)6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one?
3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 254.74 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-1-methyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 11736931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).