HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1-(N,N-Dimethylcarbamoyl)-4,5-dicyanoimidazole

HCID 23343418
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)C(=O)n1cnc(C#N)c1C#N
InChIKey
KIJVREAQCNJNND-UHFFFAOYSA-N
Molecular formula
C8H7N5O
Average molar mass
189.17 g/mol

Names & identifiers

Preferred name
1-(N,N-Dimethylcarbamoyl)-4,5-dicyanoimidazole
IUPAC
4,5-dicyano-N,N-dimethylimidazole-1-carboxamide

Names & synonyms

SCHEMBL11453412KIJVREAQCNJNND-UHFFFAOYSA-N1-(N,N-Dimethylcarbamoyl)-4,5-dicyanoimidazole

Database identifiers

PubChem CID
23343418

Properties

Computed structural properties

XLogP
0
Topological polar surface area
85.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
0
Heavy atoms
14
Formal charge
0
Complexity
332

Related reactions

2 records
New reaction record
HRID 27032 reaction equation
HRID 27032As productuspto-grants-1980_09
HRID 1120193 reaction equation
HRID 1120193As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes