5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

C11H10N2O2S — CID 2833452

IUPAC5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(C=C2NC(=S)NC2=O)cc1
InChIInChI=1S/C11H10N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(16)12-9/h2-6H,1H3,(H2,12,13,14,16)
InChIKeyXNQUYEHNKGAJNI-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.04
Rot. Bonds2

About 5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one

5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 2833452) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID2833452
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(C=C2NC(=S)NC2=O)cc1
InChIInChI=1S/C11H10N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(16)12-9/h2-6H,1H3,(H2,12,13,14,16)
InChIKeyXNQUYEHNKGAJNI-UHFFFAOYSA-N
XLogP1.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[(4-methoxyphenyl)methylidene]-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 5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 2833452) is 5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is COc1ccc(C=C2NC(=S)NC2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is XNQUYEHNKGAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-8-4-2-7(3-5-8)6-9-10(14)13-11(16)12-9/h2-6H,1H3,(H2,12,13,14,16).
What are the key properties of 5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one?
5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 234.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 2833452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).