1-methyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine

• ChemBase ID: 192396
• Molecular Formular: C16H17N3O3
• Molecular Mass: 299.32448
• Monoisotopic Mass: 299.12699142
• SMILES: c1(nc2c(n1C)ccnc2)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)c1nc2c(n1C)ccnc2
• InChI: InChI=1S/C16H17N3O3/c1-19-12-5-6-17-9-11(12)18-16(19)10-7-13(20-2)15(22-4)14(8-10)21-3/h5-9H,1-4H3
• InChIKey: LUPIYJXFUZXEHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 1-methyl-2-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridine

Database IDs

• PubChem SID: 164248306
• PubChem CID: 655187

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8167746
• LogD (pH = 7.4): 1.8172579
• Log P: 1.8172641
• Molar Refractivity: 92.1995 cm^3
• Polarizability: 33.339706 Å^3
• Polar Surface Area: 58.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds