1-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-4-phenyl-5-(thiophen-3-yl)-1H-imidazole

• ChemBase ID: 405905
• Molecular Formular: C20H20N4S
• Molecular Mass: 348.4646
• Monoisotopic Mass: 348.14086766
• SMILES: n1(c(c(nc1)c1ccccc1)c1cscc1)C(c1n(ncc1)C)CC
• Canonical SMILES: CCC(n1cnc(c1c1cscc1)c1ccccc1)c1ccnn1C
• InChI: InChI=1S/C20H20N4S/c1-3-17(18-9-11-22-23(18)2)24-14-21-19(15-7-5-4-6-8-15)20(24)16-10-12-25-13-16/h4-14,17H,3H2,1-2H3
• InChIKey: QDSBOJMPVGJIRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(1-methyl-1H-pyrazol-5-yl)propyl]-4-phenyl-5-(thiophen-3-yl)-1H-imidazole
• IUPAC Traditional name: 1-[1-(2-methylpyrazol-3-yl)propyl]-4-phenyl-5-(thiophen-3-yl)imidazole
• Synonyms: 1-methyl-5-{1-[4-phenyl-5-(3-thienyl)-1H-imidazol-1-yl]propyl}-1H-pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.2905726
• LogD (pH = 7.4): 4.467686
• Log P: 4.470628
• Molar Refractivity: 113.1295 cm^3
• Polarizability: 41.357944 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: 3.98
• LOG S: -5.14
• Polar Surface Area: 35.64 Å^2
• Rotatable Bonds: 5