Basic information
- Standard SMILES
Nc1nccc(-n2c(OCC(F)(F)F)nc3ccc(Br)cc32)n1- InChIKey
AUBMTPDKPQSTTR-UHFFFAOYSA-N- Molecular formula
- C13H9BrF3N5O
- Average molar mass
- 388.14 g/mol
Names & identifiers
- Preferred name
- 4-[6-bromo-2-(2,2,2-trifluoroethoxy)-1H-1,3-benzodiazol-1-yl]pyrimidin-2-amine
- IUPAC
- 4-[6-bromo-2-(2,2,2-trifluoroethoxy)benzimidazol-1-yl]pyrimidin-2-amine
Names & synonyms
4-[6-bromo-2-(2,2,2-trifluoroethoxy)-1H-1,3-benzodiazol-1-yl]pyrimidin-2-amineSCHEMBL119704824-[6-bromo-2-(2,2,2-trifluoro ethoxy)-1H-1,3-benzodiazol-1-yl]pyrimidin-2-amine
Database identifiers
- PubChem CID
- 68181583
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Related reactions
3 records
Compound notes
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