5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione

C13H15FN2O2 — CID 123670730

IUPAC5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)NC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2/c1-3-13(4-2)11(17)15-12(18)16(13)10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyYSNXHIGDTXMDCD-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.44
Rot. Bonds3

About 5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione

5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 123670730) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID123670730
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCC1(CC)C(=O)NC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O2/c1-3-13(4-2)11(17)15-12(18)16(13)10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,17,18)
InChIKeyYSNXHIGDTXMDCD-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione (CID 123670730) is 5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione is CCC1(CC)C(=O)NC(=O)N1c1ccc(F)cc1.
What is the InChIKey of 5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is YSNXHIGDTXMDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-13(4-2)11(17)15-12(18)16(13)10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H,15,17,18).
What are the key properties of 5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione?
5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 250.27 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 123670730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).