1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione

C10H7FN2O3 — CID 79050319

IUPAC1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione
SMILESCc1cc(F)cc(N2C(=O)NC(=O)C2=O)c1
InChIInChI=1S/C10H7FN2O3/c1-5-2-6(11)4-7(3-5)13-9(15)8(14)12-10(13)16/h2-4H,1H3,(H,12,14,16)
InChIKeyPTGMVZFVTGVBKM-UHFFFAOYSA-N
MW222.17 g/mol
LogP0.72
Rot. Bonds1

About 1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione

1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione (PubChem CID 79050319) has the molecular formula C10H7FN2O3 and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione
PubChem CID79050319
Molecular FormulaC10H7FN2O3
Molecular Weight222.17 g/mol
Exact Mass222.04
IUPAC Name1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione
SMILESCc1cc(F)cc(N2C(=O)NC(=O)C2=O)c1
InChIInChI=1S/C10H7FN2O3/c1-5-2-6(11)4-7(3-5)13-9(15)8(14)12-10(13)16/h2-4H,1H3,(H,12,14,16)
InChIKeyPTGMVZFVTGVBKM-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 50.72
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-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione (CID 79050319) is 1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione is Cc1cc(F)cc(N2C(=O)NC(=O)C2=O)c1.
What is the InChIKey of 1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione?
The InChIKey is PTGMVZFVTGVBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c1-5-2-6(11)4-7(3-5)13-9(15)8(14)12-10(13)16/h2-4H,1H3,(H,12,14,16).
What are the key properties of 1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione?
1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione has a molecular weight of 222.17 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methylphenyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 79050319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).