3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione

C11H10F2N2O2S — CID 35363218

IUPAC3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSc1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2N2O2S/c12-8-2-1-7(5-9(8)13)18-4-3-15-10(16)6-14-11(15)17/h1-2,5H,3-4,6H2,(H,14,17)
InChIKeyDIEDOKWORGMKIR-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.61
Rot. Bonds4

About 3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione

3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione (PubChem CID 35363218) has the molecular formula C11H10F2N2O2S and a molecular weight of 272.28 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione
PubChem CID35363218
Molecular FormulaC11H10F2N2O2S
Molecular Weight272.28 g/mol
Exact Mass272.04
IUPAC Name3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCSc1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2N2O2S/c12-8-2-1-7(5-9(8)13)18-4-3-15-10(16)6-14-11(15)17/h1-2,5H,3-4,6H2,(H,14,17)
InChIKeyDIEDOKWORGMKIR-UHFFFAOYSA-N
XLogP1.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione (CID 35363218) is 3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCSc1ccc(F)c(F)c1.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione?
The InChIKey is DIEDOKWORGMKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2S/c12-8-2-1-7(5-9(8)13)18-4-3-15-10(16)6-14-11(15)17/h1-2,5H,3-4,6H2,(H,14,17).
What are the key properties of 3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione?
3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione has a molecular weight of 272.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)sulfanylethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 35363218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).