Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
tert-butyl N-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(4-bromophenyl)-4-oxobutan-2-yl]carbamate (HCID 77190867)|Huagongshe
Home
/
Compound
tert-butyl N-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(4-bromophenyl)-4-oxobutan-2-yl]carbamate
HCID
77190867
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1)Cc1ccc(Br)cc1
InChIKey
RNSGCILJXWLQHI-UHFFFAOYSA-N
Molecular formula
C27H33BrN4O3
Average molar mass
541.5 g/mol
Monoisotopic mass
540.1736
Names & identifiers
Preferred name
tert-butyl N-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(4-bromophenyl)-4-oxobutan-2-yl]carbamate
IUPAC
tert-butyl N-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(4-bromophenyl)-4-oxobutan-2-yl]carbamate
Database identifiers
PubChem CID
77190867
Properties
Computed structural properties
XLogP
4.9
Topological polar surface area
87.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
35
Formal charge
0
Complexity
722
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
941854
As product
Validation data from https://doi.org/10.1039/C8SC04228D
Compound notes
Loading…