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

• ChemBase ID: 726998
• Molecular Formular: C25H23N5
• Molecular Mass: 393.48362
• Monoisotopic Mass: 393.19534576
• SMILES: c1(c(ncn1CCCn1c(ncc1)C)c1ccccc1)c1c2c(cncc2)ccc1
• Canonical SMILES: Cc1nccn1CCCn1cnc(c1c1cccc2c1ccnc2)c1ccccc1
• InChI: InChI=1S/C25H23N5/c1-19-27-13-16-29(19)14-6-15-30-18-28-24(20-7-3-2-4-8-20)25(30)23-10-5-9-21-17-26-12-11-22(21)23/h2-5,7-13,16-18H,6,14-15H2,1H3
• InChIKey: UIWLFEDACDAQJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2433033
• LogD (pH = 7.4): 3.2908397
• Log P: 3.5405097
• Molar Refractivity: 119.2273 cm^3
• Polarizability: 49.396748 Å^3
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.57
• LOG S: -5.12
• Polar Surface Area: 48.53 Å^2
• Rotatable Bonds: 6