2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

• ChemBase ID: 798385
• Molecular Formular: C13H16N2
• Molecular Mass: 200.27954
• Monoisotopic Mass: 200.13134852
• SMILES: N1C(=NCC1)C1c2ccccc2CCC1
• Canonical SMILES: C1CN=C(N1)C1CCCc2c1cccc2
• InChI: InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
• InChIKey: BYJAVTDNIXVSPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
• IUPAC Traditional name: visine
• Synonyms: 4,5-dihydro-2-(1,2,3,4-tetrahydro-1-naphthyl)-1h-imidazole

Database IDs

• CAS Number: 84-22-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.17214893
• LogD (pH = 7.4): -0.015310861
• Log P: 2.2408907
• Molar Refractivity: 61.4838 cm^3
• Polarizability: 23.558542 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%