tert-butyl N-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(4-chlorophenyl)-4-oxobutan-2-yl]carbamate

HCID 77190866
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC(CC(=O)N1CCCC(c2nc3ccccc3[nH]2)C1)Cc1ccc(Cl)cc1
InChIKey
FINNWTIGRJUVNT-UHFFFAOYSA-N
Molecular formula
C27H33ClN4O3
Average molar mass
497 g/mol
Monoisotopic mass
496.2241186

Names & identifiers

Preferred name
tert-butyl N-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(4-chlorophenyl)-4-oxobutan-2-yl]carbamate
IUPAC
tert-butyl N-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(4-chlorophenyl)-4-oxobutan-2-yl]carbamate

Database identifiers

PubChem CID
77190866

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
87.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
35

Related reactions

1 records
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Compound notes

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