Benzenamine, N,N-bis(2-chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)hexyl)-, hydrochloride, hydrate (2:6:3)
Basic information
- CAS
159277-20-0- Standard SMILES
CN1CCN(c2ccc3nc(-c4ccc5nc(CCCCCCc6ccc(N(CCCl)CCCl)cc6)[nH]c5c4)[nH]c3c2)CC1.Cl.Cl.Cl- InChIKey
KDIHFRKXUSYVDF-UHFFFAOYSA-N- Molecular formula
- C35H46Cl5N7
- Average molar mass
- 742 g/mol
- Monoisotopic mass
- 739.225733
Names & identifiers
- Preferred name
- Benzenamine, N,N-bis(2-chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)hexyl)-, hydrochloride, hydrate (2:6:3)
- IUPAC
- N,N-bis(2-chloroethyl)-4-[6-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]hexyl]aniline;trihydrochloride
Names & synonyms
159277-20-0Benzenamine, N,N-bis(2-chloroethyl)-4-(6-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)hexyl)-, hydrochloride, hydrate (2:6:3)DTXSID70166622N,N-Bis(2-chloroethyl)-4-{6-[6-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bi-1,3-benzimidazol]-2'-yl]hexyl}aniline--hydrogen chloride (1/3)
Database identifiers
- CAS
159277-20-0- PubChem CID
- 3074546
- DTXSID
DTXSID70166622
Properties
Computed structural properties
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 830
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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