5-(1-methyl-1H-1,3-benzodiazol-2-yl)pentan-1-amine dihydrochloride

• ChemBase ID: 124659
• Molecular Formular: C13H21Cl2N3
• Molecular Mass: 290.23194
• Monoisotopic Mass: 289.11125305
• SMILES: n1c(n(c2c1cccc2)C)CCCCCN.Cl.Cl
• Canonical SMILES: NCCCCCc1nc2c(n1C)cccc2.Cl.Cl
• InChI: InChI=1S/C13H19N3.2ClH/c1-16-12-8-5-4-7-11(12)15-13(16)9-3-2-6-10-14;;/h4-5,7-8H,2-3,6,9-10,14H2,1H3;2*1H
• InChIKey: FGIUCMYGSIDAPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-methyl-1H-1,3-benzodiazol-2-yl)pentan-1-amine dihydrochloride
• IUPAC Traditional name: 5-(1-methyl-1,3-benzodiazol-2-yl)pentan-1-amine dihydrochloride
• Synonyms: 5-(1-methyl-1H-benzo[d]imidazol-2-yl)pentan-1-amine dihydrochloride

Database IDs

• PubChem SID: 162219012
• PubChem CID: 51052045

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5281929
• LogD (pH = 7.4): -0.5253565
• Log P: 2.0969262
• Molar Refractivity: 66.322 cm^3
• Polarizability: 27.128702 Å^3
• Polar Surface Area: 43.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl