Basic information
- CAS
166546-19-6- Standard SMILES
CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(N(CCCl)CCCl)cc6)[nH]c5c4)[nH]c3c2)CC1- InChIKey
BGUPMWNOAXIUCI-UHFFFAOYSA-N- Molecular formula
- C29H31Cl2N7
- Average molar mass
- 548.5 g/mol
- Monoisotopic mass
- 547.2017994
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-4-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)benzenamine
- IUPAC
- N,N-bis(2-chloroethyl)-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
Names & synonyms
N,N-Bis(2-chloroethyl)-4-(5-(4-methyl-1-piperazinyl)(2,5'-bi-1H-benzimidazol)-2'-yl)benzenamineGEK7MWA74O166546-19-6CCRIS 8391N,N-Bis(2-chloroethyl)-4-(6-(6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl)anilineUNII-GEK7MWA74OCHEMBL138595SCHEMBL6584192SCHEMBL6584202DTXSID90168123BENZENAMINE, N,N-BIS(2-CHLOROETHYL)-4-(5-(4-METHYL-1-PIPERAZINYL)(2,5'-BI-1H-BENZIMIDAZOL)-2'-YL)-N,N-BIS(2-CHLOROETHYL)-4-(5-(4-METHYL-1-PIPERAZINYL)(2,5'-BI-1H-BENZIMIDAZOL-2'-YL)-BENZENAMINE
Show more names
N,N-Bis(2-chloroethyl)-4-[6-(4-methylpiperazin-1-yl)-1H,3'H-[2,5'-bi-1,3-benzimidazol]-2'-yl]aniline
Database identifiers
- CAS
166546-19-6- PubChem CID
- 154802
- DTXSID
DTXSID90168123- ChEMBL
CHEMBL138595
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 738
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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