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tert-butyl (4S,5R)-4,5-diphenyl-2-[(3,4,5-trifluorophenyl)methylamino]-4,5-dihydroimidazole-1-carboxylate

HCID 68568708
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C(NCc2cc(F)c(F)c(F)c2)=N[C@@H](c2ccccc2)[C@H]1c1ccccc1
InChIKey
DLHQOECQMVEBBH-BJKOFHAPSA-N
Molecular formula
C27H26F3N3O2
Average molar mass
481.5 g/mol

Names & identifiers

Preferred name
tert-butyl (4S,5R)-4,5-diphenyl-2-[(3,4,5-trifluorophenyl)methylamino]-4,5-dihydroimidazole-1-carboxylate
IUPAC
tert-butyl (4S,5R)-4,5-diphenyl-2-[(3,4,5-trifluorophenyl)methylamino]-4,5-dihydroimidazole-1-carboxylate

Database identifiers

PubChem CID
68568708

Properties

Computed structural properties

XLogP
6
Topological polar surface area
53.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
35
Formal charge
0
Complexity
734

Related reactions

4 records
New reaction record
HRID 18731 reaction equation
HRID 18731As productuspto-grants-2010_06
HRID 18732 reaction equation
HRID 18732As reactantuspto-grants-2010_06
HRID 2053524 reaction equation
HRID 2053524As productuspto-grants-2008_02
HRID 2053525 reaction equation
HRID 2053525As reactantuspto-grants-2008_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes