2-{[2-(1-benzofuran-2-yl)-1H-imidazol-1-yl]methyl}-5-methylpyrazine

• ChemBase ID: 643612
• Molecular Formular: C17H14N4O
• Molecular Mass: 290.31926
• Monoisotopic Mass: 290.11676109
• SMILES: c1(c2n(Cc3ncc(nc3)C)ccn2)oc2c(c1)cccc2
• Canonical SMILES: Cc1cnc(cn1)Cn1ccnc1c1cc2c(o1)cccc2
• InChI: InChI=1S/C17H14N4O/c1-12-9-20-14(10-19-12)11-21-7-6-18-17(21)16-8-13-4-2-3-5-15(13)22-16/h2-10H,11H2,1H3
• InChIKey: FSWLMIMKAJLALY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[2-(1-benzofuran-2-yl)-1H-imidazol-1-yl]methyl}-5-methylpyrazine
• IUPAC Traditional name: 2-{[2-(1-benzofuran-2-yl)imidazol-1-yl]methyl}-5-methylpyrazine
• Synonyms: 2-{[2-(1-benzofuran-2-yl)-1H-imidazol-1-yl]methyl}-5-methylpyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6073798
• LogD (pH = 7.4): 1.6832397
• Log P: 1.684317
• Molar Refractivity: 92.0978 cm^3
• Polarizability: 33.149055 Å^3
• Polar Surface Area: 56.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.32
• LOG S: -2.44
• Polar Surface Area: 56.74 Å^2
• Rotatable Bonds: 3