1-(4-methoxyphenyl)-2-[3-methyl-2-(thiophen-2-yl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]ethan-1-ol

• ChemBase ID: 194624
• Molecular Formular: C20H23N3O2S
• Molecular Mass: 369.48052
• Monoisotopic Mass: 369.15109799
• SMILES: c1(nc2c(n1C)CN(CC(c1ccc(cc1)OC)O)CC2)c1sccc1
• Canonical SMILES: COc1ccc(cc1)C(CN1CCc2c(C1)n(C)c(n2)c1cccs1)O
• InChI: InChI=1S/C20H23N3O2S/c1-22-17-12-23(13-18(24)14-5-7-15(25-2)8-6-14)10-9-16(17)21-20(22)19-4-3-11-26-19/h3-8,11,18,24H,9-10,12-13H2,1-2H3
• InChIKey: UJAVGELEWBKNLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-2-[3-methyl-2-(thiophen-2-yl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]ethan-1-ol
• IUPAC Traditional name: 1-(4-methoxyphenyl)-2-[3-methyl-2-(thiophen-2-yl)-4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]ethanol

Database IDs

• PubChem SID: 164250534
• PubChem CID: 5111788

CALCULATED PROPERTIES

• Acid pKa: 14.116891
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6651098
• LogD (pH = 7.4): 2.3467193
• Log P: 2.747947
• Molar Refractivity: 114.0913 cm^3
• Polarizability: 40.48575 Å^3
• Polar Surface Area: 50.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Stereoisomers
• Classification: Derivatives & analogs of Natural Compounds