5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione

C11H7FN2O3 — CID 78022043

IUPAC5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cc3ccc(F)cc3o2)N1
InChIInChI=1S/C11H7FN2O3/c12-6-2-1-5-3-8(17-7(5)4-6)9-10(15)14-11(16)13-9/h1-4,9H,(H2,13,14,15,16)
InChIKeyLRNCTZQGDFBHEV-UHFFFAOYSA-N
MW234.19 g/mol
LogP1.45
Rot. Bonds1

About 5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione

5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione (PubChem CID 78022043) has the molecular formula C11H7FN2O3 and a molecular weight of 234.19 g/mol. Its IUPAC name is 5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione
PubChem CID78022043
Molecular FormulaC11H7FN2O3
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione
SMILESO=C1NC(=O)C(c2cc3ccc(F)cc3o2)N1
InChIInChI=1S/C11H7FN2O3/c12-6-2-1-5-3-8(17-7(5)4-6)9-10(15)14-11(16)13-9/h1-4,9H,(H2,13,14,15,16)
InChIKeyLRNCTZQGDFBHEV-UHFFFAOYSA-N
XLogP1.45
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 51.45
H-Bond Donors ≤ 52
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 5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione (CID 78022043) is 5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione is O=C1NC(=O)C(c2cc3ccc(F)cc3o2)N1.
What is the InChIKey of 5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione?
The InChIKey is LRNCTZQGDFBHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O3/c12-6-2-1-5-3-8(17-7(5)4-6)9-10(15)14-11(16)13-9/h1-4,9H,(H2,13,14,15,16).
What are the key properties of 5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione?
5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione has a molecular weight of 234.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1-benzofuran-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 78022043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).