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

• ChemBase ID: 798304
• Molecular Formular: C18H18N2
• Molecular Mass: 262.34892
• Monoisotopic Mass: 262.14699859
• SMILES: N1C(=NCC1)C1C(C1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C1(CC1C1=NCCN1)c1ccccc1
• InChI: InChI=1S/C18H18N2/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17/h1-10,16H,11-13H2,(H,19,20)
• InChIKey: IPOBOOXFSRWSHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 53267-01-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5896941
• LogD (pH = 7.4): 0.6862473
• Log P: 3.0037708
• Molar Refractivity: 91.4547 cm^3
• Polarizability: 31.341692 Å^3
• Polar Surface Area: 24.39 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%