Completing data — usually done within a minute
Basic information
- CAS
19809-02-0- Standard SMILES
CC(=O)n1c(CCl)nc2ccccc21- InChIKey
XOAVRYNXKLYQMQ-UHFFFAOYSA-N- Molecular formula
- C10H9ClN2O
- Average molar mass
- 208.64 g/mol
- Monoisotopic mass
- 208.04034059
Names & identifiers
- Preferred name
- 1-[2-(Chloromethyl)-1h-benzimidazol-1-yl]ethanone
- IUPAC
- 1-[2-(chloromethyl)benzimidazol-1-yl]ethanone
Names & synonyms
1-[2-(chloromethyl)-1h-benzimidazol-1-yl]ethanone19809-02-01-[2-(chloromethyl)benzimidazol-1-yl]ethanoneNSC106616SCHEMBL6095318CHEMBL2287768DTXSID40295973XOAVRYNXKLYQMQ-UHFFFAOYSA-NNSC-1066161-Acetyl-2-(chloromethyl)-1H-benzimidazole1-[2-(Chloromethyl)-1H-1,3-benzimidazol-1-yl]ethan-1-one
Database identifiers
- CAS
19809-02-0- PubChem CID
- 267404
- DTXSID
DTXSID40295973- ChEMBL
CHEMBL2287768
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Related reactions
2 records
Compound notes
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