4-{imidazo[1,2-a]pyridin-2-ylmethoxy}aniline

• ChemBase ID: 271086
• Molecular Formular: C14H13N3O
• Molecular Mass: 239.27252
• Monoisotopic Mass: 239.10586205
• SMILES: n1c2n(cc1COc1ccc(N)cc1)cccc2
• Canonical SMILES: Nc1ccc(cc1)OCc1nc2n(c1)cccc2
• InChI: InChI=1S/C14H13N3O/c15-11-4-6-13(7-5-11)18-10-12-9-17-8-2-1-3-14(17)16-12/h1-9H,10,15H2
• InChIKey: TVJLDIGGBRVMKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{imidazo[1,2-a]pyridin-2-ylmethoxy}aniline
• IUPAC Traditional name: 4-{imidazo[1,2-a]pyridin-2-ylmethoxy}aniline
• Synonyms: 4-{imidazo[1,2-a]pyridin-2-ylmethoxy}aniline

Database IDs

• MDL Number: MFCD09807355
• PubChem SID: 164326996
• PubChem CID: 20121669

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1162882
• LogD (pH = 7.4): 1.5696344
• Log P: 1.5788972
• Molar Refractivity: 71.1904 cm^3
• Polarizability: 26.533651 Å^3
• Polar Surface Area: 52.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): 2.036

Product Information

• Purity: 95%