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4-[4,5-Bis-(4-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-1,2,3,6-tetrahydropyridine

HCID 58625818
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(F)(F)c1ccc(-c2nc(C3=CCNCC3)[nH]c2-c2ccc(C(F)(F)F)cc2)cc1
InChIKey
GARBVEATQDKIDI-UHFFFAOYSA-N
Molecular formula
C22H17F6N3
Average molar mass
437.4 g/mol

Names & identifiers

Preferred name
4-[4,5-Bis-(4-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-1,2,3,6-tetrahydropyridine
IUPAC
4-[4,5-bis[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1,2,3,6-tetrahydropyridine

Names & synonyms

4-[4,5-Bis-(4-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-1,2,3,6-tetrahydropyridineSCHEMBL48516684-[4,5-Bis-(4-trifluoromethyl-phenyl)-1H-imidazol-2-yl]-1,2,3,6-tetrahydro-pyridine

Database identifiers

PubChem CID
58625818

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
40.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
31
Formal charge
0
Complexity
630

Related reactions

2 records
New reaction record
HRID 91717 reaction equation
HRID 91717As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2116909 reaction equation
HRID 2116909As reactantuspto-grants-2008_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes