2-(4-methylphenyl)-4,5-dihydro-1H-imidazole

• ChemBase ID: 254322
• Molecular Formular: C10H12N2
• Molecular Mass: 160.21568
• Monoisotopic Mass: 160.10004839
• SMILES: C1(=NCCN1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C1=NCCN1
• InChI: InChI=1S/C10H12N2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H,11,12)
• InChIKey: VDGKMJYQQUTBQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
• IUPAC Traditional name: 2-(4-methylphenyl)-4,5-dihydro-1H-imidazole
• Synonyms: 2-(4-methylphenyl)-4,5-dihydro-1H-imidazole

Database IDs

• MDL Number: MFCD00463854
• PubChem SID: 164310232
• PubChem CID: 231469

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.67366284
• LogD (pH = 7.4): -0.40022925
• Log P: 1.7368962
• Molar Refractivity: 50.0591 cm^3
• Polarizability: 18.748714 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.142

Product Information

• Purity: 95%