5-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}isoquinoline

• ChemBase ID: 847919
• Molecular Formular: C22H17N5O
• Molecular Mass: 367.40328
• Monoisotopic Mass: 367.14331019
• SMILES: c1(n(cnc1c1ccccc1)Cc1nnc(o1)C)c1c2c(cncc2)ccc1
• Canonical SMILES: Cc1nnc(o1)Cn1cnc(c1c1cccc2c1ccnc2)c1ccccc1
• InChI: InChI=1S/C22H17N5O/c1-15-25-26-20(28-15)13-27-14-24-21(16-6-3-2-4-7-16)22(27)19-9-5-8-17-12-23-11-10-18(17)19/h2-12,14H,13H2,1H3
• InChIKey: JIYZVYBBZRUYJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}isoquinoline
• IUPAC Traditional name: 5-{3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-phenylimidazol-4-yl}isoquinoline
• Synonyms: 5-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}isoquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.0902767
• LogD (pH = 7.4): 2.3484766
• Log P: 2.3527024
• Molar Refractivity: 107.2866 cm^3
• Polarizability: 43.97496 Å^3
• Polar Surface Area: 69.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.6
• LOG S: -3.24
• Polar Surface Area: 69.63 Å^2
• Rotatable Bonds: 4