{2-[2-(2,1,3-benzoxadiazol-5-yl)-1H-imidazol-1-yl]ethyl}diethylamine

• ChemBase ID: 512495
• Molecular Formular: C15H19N5O
• Molecular Mass: 285.34426
• Monoisotopic Mass: 285.15896025
• SMILES: c1(c2cc3c(non3)cc2)n(ccn1)CCN(CC)CC
• Canonical SMILES: CCN(CCn1ccnc1c1ccc2c(c1)non2)CC
• InChI: InChI=1S/C15H19N5O/c1-3-19(4-2)9-10-20-8-7-16-15(20)12-5-6-13-14(11-12)18-21-17-13/h5-8,11H,3-4,9-10H2,1-2H3
• InChIKey: BGAQCCFUGGXKEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(2,1,3-benzoxadiazol-5-yl)-1H-imidazol-1-yl]ethyl}diethylamine
• IUPAC Traditional name: {2-[2-(2,1,3-benzoxadiazol-5-yl)imidazol-1-yl]ethyl}diethylamine
• Synonyms: 2-[2-(2,1,3-benzoxadiazol-5-yl)-1H-imidazol-1-yl]-N,N-diethylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.722624
• LogD (pH = 7.4): -0.13691488
• Log P: 2.1855052
• Molar Refractivity: 92.6042 cm^3
• Polarizability: 32.55606 Å^3
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.19
• LOG S: -2.14
• Polar Surface Area: 59.98 Å^2
• Rotatable Bonds: 6