1H,4H,5H,6H-cyclopenta[d]imidazole

• ChemBase ID: 310194
• Molecular Formular: C6H8N2
• Molecular Mass: 108.14112
• Monoisotopic Mass: 108.06874827
• SMILES: n1c2c([nH]c1)CCC2
• Canonical SMILES: C1Cc2c(C1)nc[nH]2
• InChI: InChI=1S/C6H8N2/c1-2-5-6(3-1)8-4-7-5/h4H,1-3H2,(H,7,8)
• InChIKey: IIQDERIUJKTLRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,4H,5H,6H-cyclopenta[d]imidazole
• IUPAC Traditional name: 1H,4H,5H,6H-cyclopenta[d]imidazole
• Synonyms: 1,4,5,6-tetrahydrocyclopenta[d]imidazole

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.46117026
• LogD (pH = 7.4): 0.33675784
• Log P: 0.50047094
• Molar Refractivity: 31.5017 cm^3
• Polarizability: 11.780513 Å^3
• Polar Surface Area: 28.68 Å^2