[2-(1H-imidazol-1-yl)ethyl]({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})methylamine

• ChemBase ID: 435666
• Molecular Formular: C13H21N5O
• Molecular Mass: 263.33874
• Monoisotopic Mass: 263.17461032
• SMILES: c1(n(ccn1)CCOC)CN(CCn1cncc1)C
• Canonical SMILES: COCCn1ccnc1CN(CCn1cncc1)C
• InChI: InChI=1S/C13H21N5O/c1-16(7-8-17-5-3-14-12-17)11-13-15-4-6-18(13)9-10-19-2/h3-6,12H,7-11H2,1-2H3
• InChIKey: XDFJJEDTMYAABN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1H-imidazol-1-yl)ethyl]({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})methylamine
• IUPAC Traditional name: [2-(imidazol-1-yl)ethyl]({[1-(2-methoxyethyl)imidazol-2-yl]methyl})methylamine
• Synonyms: 2-(1H-imidazol-1-yl)-N-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-N-methylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5692834
• LogD (pH = 7.4): -0.21335334
• Log P: -0.047033515
• Molar Refractivity: 74.7632 cm^3
• Polarizability: 28.50156 Å^3
• Polar Surface Area: 48.11 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.05
• LOG S: -1.47
• Polar Surface Area: 48.11 Å^2
• Rotatable Bonds: 8