5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one

C9H6BrFN2OS — CID 82997078

IUPAC5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1c1cc(Br)ccc1F
InChIInChI=1S/C9H6BrFN2OS/c10-4-1-2-6(11)5(3-4)7-8(14)13-9(15)12-7/h1-3,7H,(H2,12,13,14,15)
InChIKeyJSWNQKMTVIEQFR-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.63
Rot. Bonds1

About 5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one

5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 82997078) has the molecular formula C9H6BrFN2OS and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID82997078
Molecular FormulaC9H6BrFN2OS
Molecular Weight289.13 g/mol
Exact Mass287.94
IUPAC Name5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one
SMILESO=C1NC(=S)NC1c1cc(Br)ccc1F
InChIInChI=1S/C9H6BrFN2OS/c10-4-1-2-6(11)5(3-4)7-8(14)13-9(15)12-7/h1-3,7H,(H2,12,13,14,15)
InChIKeyJSWNQKMTVIEQFR-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one (CID 82997078) is 5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one is O=C1NC(=S)NC1c1cc(Br)ccc1F.
What is the InChIKey of 5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is JSWNQKMTVIEQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2OS/c10-4-1-2-6(11)5(3-4)7-8(14)13-9(15)12-7/h1-3,7H,(H2,12,13,14,15).
What are the key properties of 5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one?
5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 289.13 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-fluorophenyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 82997078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).