Basic information
- Standard SMILES
Cc1nc(Br)n(Cc2ccncc2)c1C(=O)OC(C)C- InChIKey
FDMHXWKQJHYPRZ-UHFFFAOYSA-N- Molecular formula
- C14H16BrN3O2
- Average molar mass
- 338.2 g/mol
Names & identifiers
- Preferred name
- isopropyl N-(4-pyridylmethyl)-2-bromo-4-methyl-5-imidazole carboxylate
- IUPAC
- propan-2-yl 2-bromo-5-methyl-3-(pyridin-4-ylmethyl)imidazole-4-carboxylate
Names & synonyms
SCHEMBL10845270FDMHXWKQJHYPRZ-UHFFFAOYSA-Nisopropyl N-(4-pyridylmethyl)-2-bromo-4-methyl-5-imidazole carboxylate
Database identifiers
- PubChem CID
- 13633307
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
2 records
Compound notes
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