5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one

C11H10F2N2O3S — CID 82996848

IUPAC5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(C2NC(=S)NC2=O)cc1OC(F)F
InChIInChI=1S/C11H10F2N2O3S/c1-17-6-3-2-5(4-7(6)18-10(12)13)8-9(16)15-11(19)14-8/h2-4,8,10H,1H3,(H2,14,15,16,19)
InChIKeyZIYCFURRXXGDLG-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.34
Rot. Bonds4

About 5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one

5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one (PubChem CID 82996848) has the molecular formula C11H10F2N2O3S and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one
PubChem CID82996848
Molecular FormulaC11H10F2N2O3S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one
SMILESCOc1ccc(C2NC(=S)NC2=O)cc1OC(F)F
InChIInChI=1S/C11H10F2N2O3S/c1-17-6-3-2-5(4-7(6)18-10(12)13)8-9(16)15-11(19)14-8/h2-4,8,10H,1H3,(H2,14,15,16,19)
InChIKeyZIYCFURRXXGDLG-UHFFFAOYSA-N
XLogP1.34
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-(difluoromethoxy)-4-methoxyphenyl]-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-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one (CID 82996848) is 5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one is COc1ccc(C2NC(=S)NC2=O)cc1OC(F)F.
What is the InChIKey of 5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is ZIYCFURRXXGDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O3S/c1-17-6-3-2-5(4-7(6)18-10(12)13)8-9(16)15-11(19)14-8/h2-4,8,10H,1H3,(H2,14,15,16,19).
What are the key properties of 5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one?
5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 288.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethoxy)-4-methoxyphenyl]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 82996848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).