3-(1-tert-butoxycarbonyl-Benzimidazol-2-yl)propionaldehyde
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1c(CCC=O)nc2ccccc21- InChIKey
BQEWVTVUSWZIBJ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
Names & identifiers
- Preferred name
- 3-(1-tert-butoxycarbonyl-Benzimidazol-2-yl)propionaldehyde
- IUPAC
- tert-butyl 2-(3-oxopropyl)benzimidazole-1-carboxylate
Names & synonyms
SCHEMBL4066689BQEWVTVUSWZIBJ-UHFFFAOYSA-N3-(1-tert-butoxycarbonyl-Benzimidazol-2-yl)propionaldehyde
Database identifiers
- PubChem CID
- 22018779
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
4 records
Compound notes
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