2-(Chloromethyl)-5,7-dimethyl-1H-benzimidazole
Basic information
- CAS
1388028-90-7- Standard SMILES
Cc1cc(C)c2nc(CCl)[nH]c2c1- InChIKey
UCUDJNIQAIQTIW-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2
- Average molar mass
- 194.66 g/mol
- Monoisotopic mass
- 194.0610761
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-5,7-dimethyl-1H-benzimidazole
- IUPAC
- 2-(chloromethyl)-4,6-dimethyl-1H-benzimidazole
Names & synonyms
DTXSID801239797AKOS0209900872-(Chloromethyl)-5,7-dimethyl-1H-benzimidazole1H-Benzimidazole, 2-(chloromethyl)-5,7-dimethyl-1388028-90-7
Database identifiers
- CAS
1388028-90-7- PubChem CID
- 82007491
- DTXSID
DTXSID801239797
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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