5-[5-(6-methyl-2H-1,3-benzodioxol-5-yl)-4-phenyl-1H-imidazol-1-yl]pentan-1-amine

• ChemBase ID: 488884
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c1(c(ncn1CCCCCN)c1ccccc1)c1cc2c(cc1C)OCO2
• Canonical SMILES: NCCCCCn1cnc(c1c1cc2OCOc2cc1C)c1ccccc1
• InChI: InChI=1S/C22H25N3O2/c1-16-12-19-20(27-15-26-19)13-18(16)22-21(17-8-4-2-5-9-17)24-14-25(22)11-7-3-6-10-23/h2,4-5,8-9,12-14H,3,6-7,10-11,15,23H2,1H3
• InChIKey: FURUGEYIROHHCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(6-methyl-2H-1,3-benzodioxol-5-yl)-4-phenyl-1H-imidazol-1-yl]pentan-1-amine
• IUPAC Traditional name: 5-[5-(6-methyl-2H-1,3-benzodioxol-5-yl)-4-phenylimidazol-1-yl]pentan-1-amine
• Synonyms: 5-[5-(6-methyl-1,3-benzodioxol-5-yl)-4-phenyl-1H-imidazol-1-yl]pentan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.77071756
• LogD (pH = 7.4): 1.431664
• Log P: 4.040316
• Molar Refractivity: 106.5563 cm^3
• Polarizability: 43.99841 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.65
• LOG S: -3.96
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 7