4-(3,4,5-trimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 119740
• Molecular Formular: C15H19N3O3
• Molecular Mass: 289.32966
• Monoisotopic Mass: 289.14264148
• SMILES: c12C(c3cc(c(c(c3)OC)OC)OC)NCCc1nc[nH]2
• Canonical SMILES: COc1cc(cc(c1OC)OC)C1NCCc2c1[nH]cn2
• InChI: InChI=1S/C15H19N3O3/c1-19-11-6-9(7-12(20-2)15(11)21-3)13-14-10(4-5-16-13)17-8-18-14/h6-8,13,16H,4-5H2,1-3H3,(H,17,18)
• InChIKey: VYKDKBZUOBCVTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3,4,5-trimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 4-(3,4,5-trimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 4-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

Database IDs

• PubChem SID: 162108092
• PubChem CID: 15502872

CALCULATED PROPERTIES

• Acid pKa: 13.559912
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.2649456
• LogD (pH = 7.4): 0.39659896
• Log P: 0.71406406
• Molar Refractivity: 78.5425 cm^3
• Polarizability: 30.541224 Å^3
• Polar Surface Area: 68.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds