1-(3,5-Bis-trifluoromethyl-benzyl)-5-iodo-1H-imidazole-4-carbonitrile

HCID 86601222
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Basic information

Standard SMILES
N#Cc1ncn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1I
InChIKey
IEDNSOFYBQWUIC-UHFFFAOYSA-N
Molecular formula
C13H6F6IN3
Average molar mass
445.1 g/mol

Names & identifiers

Preferred name
1-(3,5-Bis-trifluoromethyl-benzyl)-5-iodo-1H-imidazole-4-carbonitrile
IUPAC
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-iodoimidazole-4-carbonitrile

Names & synonyms

1-(3,5-Bis-trifluoromethyl-benzyl)-5-iodo-1H-imidazole-4-carbonitrileSCHEMBL4637952

Database identifiers

PubChem CID
86601222

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
41.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
2
Heavy atoms
23

Related reactions

3 records
New reaction record

Linked notes

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