2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 114038
• Molecular Formular: C14H13N3O
• Molecular Mass: 239.27252
• Monoisotopic Mass: 239.10586205
• SMILES: n12c(c(nc1cccc2)c1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)c1nc2n(c1N)cccc2
• InChI: InChI=1S/C14H13N3O/c1-18-11-7-5-10(6-8-11)13-14(15)17-9-3-2-4-12(17)16-13/h2-9H,15H2,1H3
• InChIKey: ITUOXVCQWLKCGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
• Synonyms: 2-(4-methoxyphenyl)imidazo[1,2-{a}]pyridin-3-amine

Database IDs

• MDL Number: MFCD02658344
• PubChem SID: 162099012
• PubChem CID: 1512225

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6541054
• LogD (pH = 7.4): 1.7495267
• Log P: 1.8953189
• Molar Refractivity: 71.1175 cm^3
• Polarizability: 27.909065 Å^3
• Polar Surface Area: 52.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.362

Product Information

• Purity: 95+%