1-(o-Methylbenzyl)-imidazole-4,5-dinitrile

HCID 20031024
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Basic information

Standard SMILES
Cc1ccccc1Cn1cnc(C#N)c1C#N
InChIKey
NKZGDSHDEGLKGS-UHFFFAOYSA-N
Molecular formula
C13H10N4
Average molar mass
222.24 g/mol

Names & identifiers

Preferred name
1-(o-Methylbenzyl)-imidazole-4,5-dinitrile
IUPAC
1-[(2-methylphenyl)methyl]imidazole-4,5-dicarbonitrile

Names & synonyms

SCHEMBL9714509NKZGDSHDEGLKGS-UHFFFAOYSA-N1-(o-methylbenzyl)-imidazole-4,5-dinitrile

Database identifiers

PubChem CID
20031024

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
65.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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