5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione

C16H13FN2O2 — CID 43402824

IUPAC5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H13FN2O2/c17-12-8-4-5-9-14(12)19-15(20)13(18-16(19)21)10-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,21)
InChIKeyIXJXDJZANHTEIR-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.49
Rot. Bonds3

About 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione

5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 43402824) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
PubChem CID43402824
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)N1c1ccccc1F
InChIInChI=1S/C16H13FN2O2/c17-12-8-4-5-9-14(12)19-15(20)13(18-16(19)21)10-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,21)
InChIKeyIXJXDJZANHTEIR-UHFFFAOYSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione (CID 43402824) is 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione is O=C1NC(Cc2ccccc2)C(=O)N1c1ccccc1F.
What is the InChIKey of 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is IXJXDJZANHTEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c17-12-8-4-5-9-14(12)19-15(20)13(18-16(19)21)10-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,18,21).
What are the key properties of 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione?
5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 284.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 43402824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).