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

• ChemBase ID: 113856
• Molecular Formular: C14H13N3
• Molecular Mass: 223.27312
• Monoisotopic Mass: 223.11094743
• SMILES: n12c(nc(c1N)c1ccccc1)c(ccc2)C
• Canonical SMILES: Cc1cccn2c1nc(c2N)c1ccccc1
• InChI: InChI=1S/C14H13N3/c1-10-6-5-9-17-13(15)12(16-14(10)17)11-7-3-2-4-8-11/h2-9H,15H2,1H3
• InChIKey: LJOFRAMALMJSSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 8-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine
• Synonyms: 8-methyl-2-phenylimidazo[1,2-{a}]pyridin-3-amine; 8-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine

Database IDs

• MDL Number: MFCD04971849
• PubChem SID: 162099361
• PubChem CID: 2771075

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2177937
• LogD (pH = 7.4): 2.3319929
• Log P: 2.5664115
• Molar Refractivity: 69.6955 cm^3
• Polarizability: 27.202219 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.45
• Hydrophobicity(logP): 3.501

Product Information

• Purity: 95%; 95+%