7-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine

• ChemBase ID: 114274
• Molecular Formular: C12H11N3S
• Molecular Mass: 229.30084
• Monoisotopic Mass: 229.06736837
• SMILES: c1(nc2n(c1N)ccc(c2)C)c1sccc1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2N)c1cccs1
• InChI: InChI=1S/C12H11N3S/c1-8-4-5-15-10(7-8)14-11(12(15)13)9-3-2-6-16-9/h2-7H,13H2,1H3
• InChIKey: RWCXUFFPULHMEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
• IUPAC Traditional name: 7-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
• Synonyms: 7-methyl-2-(2-thienyl)imidazo[1,2-{a}]pyridin-3-amine; 7-methyl-2-thien-2-ylimidazo[1,2-a]pyridin-3-amine

Database IDs

• MDL Number: MFCD06382833
• PubChem SID: 162099613
• PubChem CID: 4961798

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2234216
• LogD (pH = 7.4): 2.250584
• Log P: 2.3435595
• Molar Refractivity: 66.5854 cm^3
• Polarizability: 25.802729 Å^3
• Polar Surface Area: 43.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 223 - 225°C
• Partition Coefficient: 1.63
• Hydrophobicity(logP): 3.388

Product Information

• Purity: 95%; 95+%