trimethyl({2-phenylimidazo[1,2-a]pyridin-3-yl}methyl)azanium iodide

• ChemBase ID: 251197
• Molecular Formular: C17H20IN3
• Molecular Mass: 393.26527
• Monoisotopic Mass: 393.07019566
• SMILES: c1(n2c(nc1c1ccccc1)cccc2)C[N+](C)(C)C.[I-]
• Canonical SMILES: C[N+](Cc1c(nc2n1cccc2)c1ccccc1)(C)C.[I-]
• InChI: InChI=1S/C17H20N3.HI/c1-20(2,3)13-15-17(14-9-5-4-6-10-14)18-16-11-7-8-12-19(15)16;/h4-12H,13H2,1-3H3;1H/q+1;/p-1
• InChIKey: IVBAFWBYVFTIGL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl({2-phenylimidazo[1,2-a]pyridin-3-yl}methyl)azanium iodide
• IUPAC Traditional name: trimethyl({2-phenylimidazo[1,2-a]pyridin-3-yl}methyl)azanium iodide
• Synonyms: trimethyl({2-phenylimidazo[1,2-a]pyridin-3-yl}methyl)azanium iodide

Database IDs

• MDL Number: MFCD07290464
• PubChem SID: 164307107
• PubChem CID: 16246637

CALCULATED PROPERTIES

• Acid pKa: 19.555994
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.586166
• LogD (pH = 7.4): -1.5093919
• Log P: -1.5083137
• Molar Refractivity: 95.0344 cm^3
• Polarizability: 33.1585 Å^3
• Polar Surface Area: 17.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 193 - 195°C
• Hydrophobicity(logP): -1.576

Product Information

• Purity: 95%