4-(4,5-dimethylthiophen-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

• ChemBase ID: 586284
• Molecular Formular: C12H15N3S
• Molecular Mass: 233.3326
• Monoisotopic Mass: 233.0986685
• SMILES: c1(C2c3nc[nH]c3CCN2)sc(c(c1)C)C
• Canonical SMILES: Cc1sc(cc1C)C1NCCc2c1nc[nH]2
• InChI: InChI=1S/C12H15N3S/c1-7-5-10(16-8(7)2)12-11-9(3-4-13-12)14-6-15-11/h5-6,12-13H,3-4H2,1-2H3,(H,14,15)
• InChIKey: NKBYQHOWLUTWIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4,5-dimethylthiophen-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• IUPAC Traditional name: 4-(4,5-dimethylthiophen-2-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine
• Synonyms: 4-(4,5-dimethyl-2-thienyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.93394
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.5988656
• LogD (pH = 7.4): 1.9623642
• Log P: 2.2343776
• Molar Refractivity: 66.3814 cm^3
• Polarizability: 25.144293 Å^3
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.58
• LOG S: -1.24
• Polar Surface Area: 40.71 Å^2
• Rotatable Bonds: 1