7-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 113845
• Molecular Formular: C14H13N3
• Molecular Mass: 223.27312
• Monoisotopic Mass: 223.11094743
• SMILES: n12c(nc(c1N)c1ccccc1)cc(cc2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2N)c1ccccc1
• InChI: InChI=1S/C14H13N3/c1-10-7-8-17-12(9-10)16-13(14(17)15)11-5-3-2-4-6-11/h2-9H,15H2,1H3
• InChIKey: FBFCRKNRKASWEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 7-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine
• Synonyms: 7-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine; 7-methyl-2-phenylimidazo[1,2-{a}]pyridin-3-amine

Database IDs

• CAS Number: 89185-45-5
• MDL Number: MFCD04971847
• PubChem SID: 162099300
• PubChem CID: 2771070

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3164259
• LogD (pH = 7.4): 2.4153721
• Log P: 2.5664115
• Molar Refractivity: 69.6955 cm^3
• Polarizability: 27.202559 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 198 - 200°C
• Partition Coefficient: 2.45
• Hydrophobicity(logP): 3.501

Product Information

• Purity: 95%; 95+%