1-(5-chloropentyl)-1H-imidazole

• ChemBase ID: 269281
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: n1cn(cc1)CCCCCCl
• Canonical SMILES: ClCCCCCn1cncc1
• InChI: InChI=1S/C8H13ClN2/c9-4-2-1-3-6-11-7-5-10-8-11/h5,7-8H,1-4,6H2
• InChIKey: XXFGBEKTDJMLNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-chloropentyl)-1H-imidazole
• IUPAC Traditional name: 1-(5-chloropentyl)imidazole
• Synonyms: 1-(5-chloropentyl)-1H-imidazole

Database IDs

• MDL Number: MFCD11644959
• PubChem SID: 164325191
• PubChem CID: 43348312

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.231957
• LogD (pH = 7.4): 1.696121
• Log P: 1.7648327
• Molar Refractivity: 47.3638 cm^3
• Polarizability: 18.092684 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.816

Product Information

• Purity: 95%