8-(benzyloxy)imidazo[1,2-a]pyridine

• ChemBase ID: 42522
• Molecular Formular: C14H12N2O
• Molecular Mass: 224.25788
• Monoisotopic Mass: 224.09496301
• SMILES: c12n(ccn1)cccc2OCc1ccccc1
• Canonical SMILES: c1ccc(cc1)COc1cccn2c1ncc2
• InChI: InChI=1S/C14H12N2O/c1-2-5-12(6-3-1)11-17-13-7-4-9-16-10-8-15-14(13)16/h1-10H,11H2
• InChIKey: LDJVMJRATISVRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(benzyloxy)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 8-(benzyloxy)imidazo[1,2-a]pyridine
• Synonyms: 8-(Benzyloxy)imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 96428-16-9
• MDL Number: MFCD06739199
• PubChem SID: 162047285
• PubChem CID: 13432974

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9756873
• LogD (pH = 7.4): 2.318762
• Log P: 2.3263512
• Molar Refractivity: 67.0122 cm^3
• Polarizability: 25.404732 Å^3
• Polar Surface Area: 26.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77 °C; 75-77°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%