3-(1-tert-butoxycarbonyl-Benzimidazol-2-yl)propionaldehyde

HCID 22018779
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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 properties

XLogP
2.4
Topological polar surface area
61.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Related reactions

4 records
New reaction record

Linked notes

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