1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione

C10H7FN2O3 — CID 2767579

IUPAC1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2ccccc2F)C1=O
InChIInChI=1S/C10H7FN2O3/c11-7-4-2-1-3-6(7)5-13-9(15)8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChIKeyPEQUSLQIJCGLIE-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.40
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione

1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione (PubChem CID 2767579) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione
PubChem CID2767579
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2ccccc2F)C1=O
InChIInChI=1S/C10H7FN2O3/c11-7-4-2-1-3-6(7)5-13-9(15)8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16)
InChIKeyPEQUSLQIJCGLIE-UHFFFAOYSA-N
XLogP0.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione (CID 2767579) is 1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione is O=C1NC(=O)N(Cc2ccccc2F)C1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is PEQUSLQIJCGLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-7-4-2-1-3-6(7)5-13-9(15)8(14)12-10(13)16/h1-4H,5H2,(H,12,14,16).
What are the key properties of 1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione?
1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 222.18 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 2767579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).