Basic information
- CAS
166546-21-0- Standard SMILES
CN1CCN(c2ccc3nc(CCc4ccc5nc(-c6ccc(N(CCCl)CCCl)cc6)[nH]c5c4)[nH]c3c2)CC1- InChIKey
MXBJLTUTMGKLIR-UHFFFAOYSA-N- Molecular formula
- C31H35Cl2N7
- Average molar mass
- 576.6 g/mol
- Monoisotopic mass
- 575.2330995
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-4-(5-(2-(5-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl)ethyl)-1H-benzimidazol-2-yl)-benzenamine
- IUPAC
- N,N-bis(2-chloroethyl)-4-[6-[2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]ethyl]-1H-benzimidazol-2-yl]aniline
Names & synonyms
166546-21-0N,N-Bis(2-chloroethyl)-4-(5-(2-(5-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl)ethyl)-1H-benzimidazol-2-yl)-benzenamineCCRIS 8393DTXSID10168125N,N-BIS(2-CHLOROETHYL)-4-(5-(2-(5-(4-METHYL-1-PIPERAZINYL)-1H-BENZIMIDAZOL-2-YL)ETHYL)-1H-BENZIMIDAZ OL-2-YL)-BENZENAMINEN,N-Bis(2-chloroethyl)-4-(6-{2-[6-(4-methylpiperazin-1-yl)-1H-1,3-benzimidazol-2-yl]ethyl}-1H-1,3-benzimidazol-2-yl)aniline
Database identifiers
- CAS
166546-21-0- PubChem CID
- 154804
- DTXSID
DTXSID10168125
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 769
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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