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1-(3,4-Dichlorobenzyl)-4,5-dicyanoimidazole

HCID 12947398
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1ncn(Cc2ccc(Cl)c(Cl)c2)c1C#N
InChIKey
HWQGXBCAMFVSPB-UHFFFAOYSA-N
Molecular formula
C12H6Cl2N4
Average molar mass
277.11 g/mol

Names & identifiers

Preferred name
1-(3,4-Dichlorobenzyl)-4,5-dicyanoimidazole
IUPAC
1-[(3,4-dichlorophenyl)methyl]imidazole-4,5-dicarbonitrile

Names & synonyms

SCHEMBL11483662HWQGXBCAMFVSPB-UHFFFAOYSA-N1-(3,4-dichlorobenzyl)-4,5-dicyanoimidazole

Database identifiers

PubChem CID
12947398

Properties

Computed structural properties

XLogP
3
Topological polar surface area
65.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Formal charge
0
Complexity
395

Related reactions

3 records
New reaction record
HRID 663361 reaction equation
HRID 663361As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 2052532 reaction equation
HRID 2052532As productuspto-grants-1980_01
HRID 2052541 reaction equation
HRID 2052541As productuspto-grants-1980_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes