Basic information
- CAS
1156275-51-2- Standard SMILES
CCCCc1ccc(-n2c(N)nc3cc(Br)ccc32)cc1- InChIKey
DWPYJINEWZECDS-UHFFFAOYSA-N- Molecular formula
- C17H18BrN3
- Average molar mass
- 344.2 g/mol
- Monoisotopic mass
- 343.06841
Names & identifiers
- Preferred name
- 5-Bromo-1-(4-butylphenyl)-1H-benzimidazol-2-amine
- IUPAC
- 5-bromo-1-(4-butylphenyl)benzimidazol-2-amine
Names & synonyms
5-Bromo-1-(4-butylphenyl)-1H-benzimidazol-2-amineDTXSID7012336151156275-51-2
Database identifiers
- CAS
1156275-51-2- PubChem CID
- 43662086
- DTXSID
DTXSID701233615
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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