5-butyl-5-phenylimidazolidine-2,4-dione

C13H16N2O2 — CID 3868221

IUPAC5-butyl-5-phenylimidazolidine-2,4-dione
SMILESCCCCC1(c2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C13H16N2O2/c1-2-3-9-13(10-7-5-4-6-8-10)11(16)14-12(17)15-13/h4-8H,2-3,9H2,1H3,(H2,14,15,16,17)
InChIKeyXNBWIJWUENNNSW-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.91
Rot. Bonds4

About 5-butyl-5-phenylimidazolidine-2,4-dione

5-butyl-5-phenylimidazolidine-2,4-dione (PubChem CID 3868221) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-butyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-5-phenylimidazolidine-2,4-dione
PubChem CID3868221
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-butyl-5-phenylimidazolidine-2,4-dione
SMILESCCCCC1(c2ccccc2)NC(=O)NC1=O
InChIInChI=1S/C13H16N2O2/c1-2-3-9-13(10-7-5-4-6-8-10)11(16)14-12(17)15-13/h4-8H,2-3,9H2,1H3,(H2,14,15,16,17)
InChIKeyXNBWIJWUENNNSW-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
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-butyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-butyl-5-phenylimidazolidine-2,4-dione (CID 3868221) is 5-butyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-5-phenylimidazolidine-2,4-dione is CCCCC1(c2ccccc2)NC(=O)NC1=O.
What is the InChIKey of 5-butyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is XNBWIJWUENNNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-3-9-13(10-7-5-4-6-8-10)11(16)14-12(17)15-13/h4-8H,2-3,9H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-butyl-5-phenylimidazolidine-2,4-dione?
5-butyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 3868221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).