Basic information
- CAS
824394-51-6- Standard SMILES
Clc1ccc2nc(-c3ccccc3-c3ncc[nH]3)[nH]c2c1- InChIKey
PNZMRQZRQMNFHJ-UHFFFAOYSA-N- Molecular formula
- C16H11ClN4
- Average molar mass
- 294.74 g/mol
- Monoisotopic mass
- 294.0672241
Names & identifiers
- Preferred name
- 1H-Benzimidazole, 5-chloro-2-[2-(1H-imidazol-2-yl)phenyl]-
- IUPAC
- 6-chloro-2-[2-(1H-imidazol-2-yl)phenyl]-1H-benzimidazole
Names & synonyms
824394-51-61H-Benzimidazole, 5-chloro-2-[2-(1H-imidazol-2-yl)phenyl]-DTXSID004662886-Chloro-2-[2-(1H-imidazol-2-yl)phenyl]-1H-1,3-benzimidazole
Database identifiers
- CAS
824394-51-6- PubChem CID
- 11449297
- DTXSID
DTXSID00466288
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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