Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1C2CCC(C2)C1c1ncc(-c2ccc(Br)cc2)[nH]1- InChIKey
UMTDVRDWOGZPDJ-UHFFFAOYSA-N- Molecular formula
- C20H24BrN3O2
- Average molar mass
- 418.3 g/mol
Names & identifiers
- Preferred name
- 3-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 3-[5-(4-bromophenyl)-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
Names & synonyms
SCHEMBL203272SCHEMBL18426928UMTDVRDWOGZPDJ-UHFFFAOYSA-N3-[5-(4-bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo [2.2.1] heptane-2-carboxylic acid tert-butyl ester3-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo [2.2.1]heptane-2-carboxylic acid tert-butyl ester3-[5-(4-Bromo-phenyl)-1H-imidazol-2-yl]-2-aza-bicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 59610907
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 530
Related reactions
51 records
Compound notes
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