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

• ChemBase ID: 114039
• Molecular Formular: C14H13N3
• Molecular Mass: 223.27312
• Monoisotopic Mass: 223.11094743
• SMILES: n12c(c(nc1cccc2)c1ccc(cc1)C)N
• Canonical SMILES: Cc1ccc(cc1)c1nc2n(c1N)cccc2
• InChI: InChI=1S/C14H13N3/c1-10-5-7-11(8-6-10)13-14(15)17-9-3-2-4-12(17)16-13/h2-9H,15H2,1H3
• InChIKey: TWHFPRWXPPMWOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13250555
• PubChem SID: 162100565
• PubChem CID: 42881558

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3258045
• LogD (pH = 7.4): 2.4209714
• Log P: 2.5664115
• Molar Refractivity: 69.6955 cm^3
• Polarizability: 27.201084 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.704

Product Information

• Purity: 95+%