1-(4-methoxyphenyl)-1H-imidazole-2-carbaldehyde

• ChemBase ID: 306659
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: n1(c(ncc1)C=O)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)n1ccnc1C=O
• InChI: InChI=1S/C11H10N2O2/c1-15-10-4-2-9(3-5-10)13-7-6-12-11(13)8-14/h2-8H,1H3
• InChIKey: MLXXXBDXGQSUSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-1H-imidazole-2-carbaldehyde
• IUPAC Traditional name: 1-(4-methoxyphenyl)imidazole-2-carbaldehyde
• Synonyms: 1-(4-methoxyphenyl)-1H-imidazole-2-carbaldehyde

Database IDs

• CAS Number: 5709-65-9
• MDL Number: MFCD09864234

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9476401
• LogD (pH = 7.4): 1.9573536
• Log P: 1.957479
• Molar Refractivity: 66.5176 cm^3
• Polarizability: 21.829767 Å^3
• Polar Surface Area: 44.12 Å^2