1-benzyl-2-ethyl-1H-imidazole

• ChemBase ID: 82964
• Molecular Formular: C12H14N2
• Molecular Mass: 186.25296
• Monoisotopic Mass: 186.11569846
• SMILES: n1(c(ncc1)CC)Cc1ccccc1
• Canonical SMILES: CCc1nccn1Cc1ccccc1
• InChI: InChI=1S/C12H14N2/c1-2-12-13-8-9-14(12)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
• InChIKey: OQZDJLFNMXRJHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2-ethyl-1H-imidazole
• IUPAC Traditional name: 1-benzyl-2-ethylimidazole
• Synonyms: 1-benzyl-2-ethyl-1H-imidazole

Database IDs

• MDL Number: MFCD00831051
• PubChem SID: 162070083
• PubChem CID: 2779371

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.6382535
• LogD (pH = 7.4): 2.4408448
• Log P: 2.6265256
• Molar Refractivity: 57.5897 cm^3
• Polarizability: 22.124619 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true