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Basic information
- Standard SMILES
COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)c(C=O)cc(OC)c21- InChIKey
UNWYQIIFZFLYKR-UHFFFAOYSA-N- Molecular formula
- C21H23BrN2O3
- Average molar mass
- 431.3 g/mol
Names & identifiers
- Preferred name
- 4-bromo-2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carbaldehyde
- IUPAC
- 4-bromo-7-methoxy-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole-5-carbaldehyde
Names & synonyms
SCHEMBL2502832UNWYQIIFZFLYKR-UHFFFAOYSA-N4-bromo-2-(4-isopropyl-phenyl)-7-methoxy-1-(2-methoxy-ethyl)-1H-benzoimidazole-5-carbaldehyde
Database identifiers
- PubChem CID
- 57772064
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 484
Related reactions
8 records
Compound notes
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