Benzimidazole mustard
Basic information
- CAS
6898-43-7- Standard SMILES
Cc1cc2nc(C[NH+](CCCl)CCCl)[nH]c2cc1C.[Cl-]- InChIKey
XWCWNNVWJHNJHP-UHFFFAOYSA-N- Molecular formula
- C14H20Cl3N3
- Average molar mass
- 336.7 g/mol
- Monoisotopic mass
- 335.072281
Names & identifiers
- Preferred name
- Benzimidazole mustard
- IUPAC
- bis(2-chloroethyl)-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]azanium chloride
Names & synonyms
Benzimidazole mustardDimethylbenzimidazole mustardBenzimidazole methylene mustardSKI 24482CB 40042Benzimidazole, 2-((bis(2-chloroethyl)amino)methyl)-5,6-dimethyl-, monohydrochloride2-(Di-2-chloroethyl)aminomethyl-5,6-dimethylbenzimidazoleBenzimidazole, 2-((bis(2-chloroethyl)amino)methyl)-5,6-dimethyl-,2-(Bis(2-chloroethyl)aminomethyl)-5,5-dimethylbenzimidazole hydrochlorideBENZIMIDAZOLE, 2-(BIS(2-CHLOROETHYL)AMINOMETHYL)-5,6-DIMETHYL-, HYDROCHLORIDE
Database identifiers
- CAS
6898-43-7- PubChem CID
- 23333
Properties
Computed structural properties
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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