3-benzyl-5-cyclobutylimidazolidine-2,4-dione

C14H16N2O2 — CID 130900496

IUPAC3-benzyl-5-cyclobutylimidazolidine-2,4-dione
SMILESO=C1NC(C2CCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c17-13-12(11-7-4-8-11)15-14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,18)
InChIKeyRRGZLHTYQIXFMY-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.91
Rot. Bonds3

About 3-benzyl-5-cyclobutylimidazolidine-2,4-dione

3-benzyl-5-cyclobutylimidazolidine-2,4-dione (PubChem CID 130900496) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-benzyl-5-cyclobutylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-cyclobutylimidazolidine-2,4-dione
PubChem CID130900496
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-benzyl-5-cyclobutylimidazolidine-2,4-dione
SMILESO=C1NC(C2CCC2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c17-13-12(11-7-4-8-11)15-14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,18)
InChIKeyRRGZLHTYQIXFMY-UHFFFAOYSA-N
XLogP1.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-benzyl-5-cyclobutylimidazolidine-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 3-benzyl-5-cyclobutylimidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-cyclobutylimidazolidine-2,4-dione (CID 130900496) is 3-benzyl-5-cyclobutylimidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-cyclobutylimidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-cyclobutylimidazolidine-2,4-dione is O=C1NC(C2CCC2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-cyclobutylimidazolidine-2,4-dione?
The InChIKey is RRGZLHTYQIXFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-13-12(11-7-4-8-11)15-14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,18).
What are the key properties of 3-benzyl-5-cyclobutylimidazolidine-2,4-dione?
3-benzyl-5-cyclobutylimidazolidine-2,4-dione has a molecular weight of 244.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-cyclobutylimidazolidine-2,4-dione is sourced from PubChem (CID 130900496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).