1-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-(3-methylthiophen-2-yl)-1H-imidazole

• ChemBase ID: 527592
• Molecular Formular: C15H18N4S
• Molecular Mass: 286.39522
• Monoisotopic Mass: 286.1252176
• SMILES: c1(c2c(ccs2)C)n(ccn1)CCCc1cn(nc1)C
• Canonical SMILES: Cn1ncc(c1)CCCn1ccnc1c1sccc1C
• InChI: InChI=1S/C15H18N4S/c1-12-5-9-20-14(12)15-16-6-8-19(15)7-3-4-13-10-17-18(2)11-13/h5-6,8-11H,3-4,7H2,1-2H3
• InChIKey: WFRQFDRYENMKJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(1-methyl-1H-pyrazol-4-yl)propyl]-2-(3-methylthiophen-2-yl)-1H-imidazole
• IUPAC Traditional name: 1-[3-(1-methylpyrazol-4-yl)propyl]-2-(3-methylthiophen-2-yl)imidazole
• Synonyms: 1-methyl-4-{3-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]propyl}-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.004804
• LogD (pH = 7.4): 3.274147
• Log P: 3.2793546
• Molar Refractivity: 103.8142 cm^3
• Polarizability: 31.35782 Å^3
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.14
• LOG S: -3.12
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 5