1-(4-phenyl-1H-imidazol-2-yl)cyclopentan-1-amine dihydrochloride

• ChemBase ID: 272127
• Molecular Formular: C14H19Cl2N3
• Molecular Mass: 300.22676
• Monoisotopic Mass: 299.09560298
• SMILES: n1c([nH]cc1c1ccccc1)C1(N)CCCC1.Cl.Cl
• Canonical SMILES: NC1(CCCC1)c1[nH]cc(n1)c1ccccc1.Cl.Cl
• InChI: InChI=1S/C14H17N3.2ClH/c15-14(8-4-5-9-14)13-16-10-12(17-13)11-6-2-1-3-7-11;;/h1-3,6-7,10H,4-5,8-9,15H2,(H,16,17);2*1H
• InChIKey: RNDLSZRDASTKBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-phenyl-1H-imidazol-2-yl)cyclopentan-1-amine dihydrochloride
• IUPAC Traditional name: 1-(4-phenyl-1H-imidazol-2-yl)cyclopentan-1-amine dihydrochloride
• Synonyms: 1-(4-phenyl-1H-imidazol-2-yl)cyclopentan-1-amine dihydrochloride

Database IDs

• MDL Number: MFCD18089507
• PubChem SID: 164328037
• PubChem CID: 50988398

CALCULATED PROPERTIES

• Acid pKa: 12.801054
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.15032494
• LogD (pH = 7.4): 1.335071
• Log P: 2.6696353
• Molar Refractivity: 68.0304 cm^3
• Polarizability: 28.17332 Å^3
• Polar Surface Area: 54.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.483

Product Information

• Purity: 95%