2-cyclopentyl-1H-imidazole

• ChemBase ID: 309353
• Molecular Formular: C8H12N2
• Molecular Mass: 136.19428
• Monoisotopic Mass: 136.10004839
• SMILES: c1(ncc[nH]1)C1CCCC1
• Canonical SMILES: C1CCC(C1)c1ncc[nH]1
• InChI: InChI=1S/C8H12N2/c1-2-4-7(3-1)8-9-5-6-10-8/h5-7H,1-4H2,(H,9,10)
• InChIKey: WBENRQNFXWEFLX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-1H-imidazole
• IUPAC Traditional name: 2-cyclopentyl-1H-imidazole
• Synonyms: 2-cyclopentyl-1H-imidazole

Database IDs

• CAS Number: 90322-26-2
• MDL Number: MFCD17078874

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.65443224
• LogD (pH = 7.4): 1.4531497
• Log P: 1.646774
• Molar Refractivity: 40.0547 cm^3
• Polarizability: 15.541211 Å^3
• Polar Surface Area: 28.68 Å^2