N,N-Bis(2-Chloroethyl)-4-[3-[6-[6-(4-Methylpiperazin-1-Yl)-1H-Benzimidazol-2-Yl]-1H-Benzimidazol-2-Yl]Propyl]Aniline Trihydrochloride
[CAS# 159277-19-7]

Identification

• Name: N,N-Bis(2-Chloroethyl)-4-[3-[6-[6-(4-Methylpiperazin-1-Yl)-1H-Benzimidazol-2-Yl]-1H-Benzimidazol-2-Yl]Propyl]Aniline Trihydrochloride
• Synonyms: N,N-Bis(2-Chloroethyl)-4-[3-[6-[6-(4-Methyl-1-Piperazinyl)-1H-Benzimidazol-2-Yl]-1H-Benzimidazol-2-Yl]Propyl]Aniline Trihydrochloride; Bis(2-Chloroethyl)-[4-[3-[6-[6-(4-Methylpiperazin-1-Yl)-1H-Benzimidazol-2-Yl]-1H-Benzimidazol-2-Yl]Propyl]Phenyl]Amine Trihydrochloride; Benzenamine, N,N-Bis(2-Chloroethyl)-4-(3-(5-(4-Methyl-1-Piperazinyl)(2,5'-Bi-1H-Benzimidazol)-2'-Yl)Propyl)-, Hydrochloride, Hydrate (1:3:3)
• Molecular Formula: C₃₂H₄₀Cl₅N₇
• Molecular Weight: 699.98
• CAS Registry Number: 159277-19-7
• SMILES: [H+].[H+].[H+].C2=C(N1CCN(CC1)C)C=CC3=C2[NH]C(=N3)C6=CC4=C(N=C([NH]4)CCCC5=CC=C(N(CCCl)CCCl)C=C5)C=C6.[Cl-].[Cl-].[Cl-]
• InChI: 1S/C32H37Cl2N7.3ClH/c1-39-17-19-41(20-18-39)26-10-12-28-30(22-26)38-32(37-28)24-7-11-27-29(21-24)36-31(35-27)4-2-3-23-5-8-25(9-6-23)40(15-13-33)16-14-34;;;/h5-12,21-22H,2-4,13-20H2,1H3,(H,35,36)(H,37,38);3*1H
• InChIKey: PLUDBJRFRHMTGA-UHFFFAOYSA-N

Properties

• Boiling point: 841.2°C at 760 mmHg (Cal.)
• Flash point: 462.5°C (Cal.)