2-(Chloromethyl)-1-(methylsulfonyl)-1h-benzimidazole
Basic information
- CAS
43215-12-9- Standard SMILES
CS(=O)(=O)n1c(CCl)nc2ccccc21- InChIKey
XHMADHOBJDAENF-UHFFFAOYSA-N- Molecular formula
- C9H9ClN2O2S
- Average molar mass
- 244.7 g/mol
- Monoisotopic mass
- 244.0073264
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-1-(methylsulfonyl)-1h-benzimidazole
- IUPAC
- 2-(chloromethyl)-1-methylsulfonylbenzimidazole
Names & synonyms
2-(chloromethyl)-1-(methylsulfonyl)-1h-benzimidazole43215-12-9NSC 101998NSC101998NCIOpen2_007000SCHEMBL5859680CHEMBL22877692-(Chloromethyl)-1-(methylsulfonyl)-1H-benzo[d]imidazoleDTXSID40295438XHMADHOBJDAENF-UHFFFAOYSA-NNSC-101998SY459155
Show more names
2-(Chloromethyl)-1-(methanesulfonyl)-benzimidazole2-(Chloromethyl)-1-(methanesulfonyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
43215-12-9- PubChem CID
- 265673
- DTXSID
DTXSID40295438- ChEMBL
CHEMBL2287769
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 327
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Related reactions
2 records
Compound notes
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