1-benzyl-2-methyl-4,5-dihydro-1H-imidazole

• ChemBase ID: 290023
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: CC1=NCCN1Cc1ccccc1
• Canonical SMILES: CC1=NCCN1Cc1ccccc1
• InChI: InChI=1S/C11H14N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
• InChIKey: VHQUSQAWNQDYNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2-methyl-4,5-dihydro-1H-imidazole
• IUPAC Traditional name: 1-benzyl-2-methyl-4,5-dihydroimidazole
• Synonyms: 1-Benzyl-2-methyl-4,5-dihydro-1H-imidazole

Database IDs

• CAS Number: 6096-36-2
• PubChem SID: 180675554
• PubChem CID: 10910074

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0560712
• LogD (pH = 7.4): -0.8379014
• Log P: 1.3557496
• Molar Refractivity: 54.2547 cm^3
• Polarizability: 20.68432 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%