1-benzyl-5-(thiophen-2-yl)imidazolidine-2,4-dione

• ChemBase ID: 257439
• Molecular Formular: C14H12N2O2S
• Molecular Mass: 272.32228
• Monoisotopic Mass: 272.06194863
• SMILES: N1(C(=O)NC(=O)C1c1sccc1)Cc1ccccc1
• Canonical SMILES: O=C1NC(=O)N(C1c1cccs1)Cc1ccccc1
• InChI: InChI=1S/C14H12N2O2S/c17-13-12(11-7-4-8-19-11)16(14(18)15-13)9-10-5-2-1-3-6-10/h1-8,12H,9H2,(H,15,17,18)
• InChIKey: LLZNKAONGPUZJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-5-(thiophen-2-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 1-benzyl-5-(thiophen-2-yl)imidazolidine-2,4-dione
• Synonyms: 1-benzyl-5-thien-2-ylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD11505434
• PubChem SID: 164313349
• PubChem CID: 42959274

CALCULATED PROPERTIES

• Acid pKa: 9.819851
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.347219
• LogD (pH = 7.4): 2.3456097
• Log P: 2.3472395
• Molar Refractivity: 71.8032 cm^3
• Polarizability: 27.646048 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.387

Product Information

• Purity: 95%