4-(2-oxoimidazolidin-1-yl)benzaldehyde

• ChemBase ID: 306741
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: C1(=O)N(c2ccc(C=O)cc2)CCN1
• Canonical SMILES: O=Cc1ccc(cc1)N1CCNC1=O
• InChI: InChI=1S/C10H10N2O2/c13-7-8-1-3-9(4-2-8)12-6-5-11-10(12)14/h1-4,7H,5-6H2,(H,11,14)
• InChIKey: PAEQVSQPTFOSRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-oxoimidazolidin-1-yl)benzaldehyde
• IUPAC Traditional name: 4-(2-oxoimidazolidin-1-yl)benzaldehyde
• Synonyms: 4-(2-oxoimidazolidin-1-yl)benzaldehyde

Database IDs

• MDL Number: MFCD05864519

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.50613016
• LogD (pH = 7.4): 0.50613016
• Log P: 0.50613016
• Molar Refractivity: 52.2253 cm^3
• Polarizability: 19.3664 Å^3
• Polar Surface Area: 49.41 Å^2