1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-amine hydrochloride

• ChemBase ID: 120780
• Molecular Formular: C14H22ClN5
• Molecular Mass: 295.81098
• Monoisotopic Mass: 295.15637341
• SMILES: c1(nc2c(n1C)ccc(c2)N)CN1CCN(CC1)C.Cl
• Canonical SMILES: CN1CCN(CC1)Cc1nc2c(n1C)ccc(c2)N.Cl
• InChI: InChI=1S/C14H21N5.ClH/c1-17-5-7-19(8-6-17)10-14-16-12-9-11(15)3-4-13(12)18(14)2;/h3-4,9H,5-8,10,15H2,1-2H3;1H
• InChIKey: WRJPGKRCOGYLRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-amine hydrochloride
• IUPAC Traditional name: 1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-benzodiazol-5-amine hydrochloride
• Synonyms: 1-methyl-2-((4-methylpiperazin-1-yl)methyl)-1H-benzo[d]imidazol-5-amine hydrochloride

Database IDs

• PubChem SID: 162215133
• PubChem CID: 56723852

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.4951887
• LogD (pH = 7.4): -0.13728507
• Log P: 0.5159369
• Molar Refractivity: 78.4854 cm^3
• Polarizability: 30.940653 Å^3
• Polar Surface Area: 50.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl