5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione

• ChemBase ID: 250652
• Molecular Formular: C12H10N2O3
• Molecular Mass: 230.2194
• Monoisotopic Mass: 230.06914219
• SMILES: C1(c2oc3c(c2)cccc3)(C(=O)NC(=O)N1)C
• Canonical SMILES: O=C1NC(=O)C(N1)(C)c1cc2c(o1)cccc2
• InChI: InChI=1S/C12H10N2O3/c1-12(10(15)13-11(16)14-12)9-6-7-4-2-3-5-8(7)17-9/h2-6H,1H3,(H2,13,14,15,16)
• InChIKey: WAZFZKBDOVMOBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione
• Synonyms: 5-(1-benzofuran-2-yl)-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD07355835
• PubChem SID: 164306562
• PubChem CID: 16226790

CALCULATED PROPERTIES

• Acid pKa: 9.734628
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.99807435
• LogD (pH = 7.4): 0.9961171
• Log P: 0.9980993
• Molar Refractivity: 58.8359 cm^3
• Polarizability: 23.762482 Å^3
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203 - 205°C
• Hydrophobicity(logP): 1.606

Product Information

• Purity: 95%