2-ethyl-1H-imidazole-4,5-dicarbonitrile

C7H6N4 — CID 5260593

IUPAC2-ethyl-1H-imidazole-4,5-dicarbonitrile
SMILESCCc1nc(C#N)c(C#N)[nH]1
InChIInChI=1S/C7H6N4/c1-2-7-10-5(3-8)6(4-9)11-7/h2H2,1H3,(H,10,11)
InChIKeyJBGUQPNUGTYMCR-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.72
Rot. Bonds1

About 2-ethyl-1H-imidazole-4,5-dicarbonitrile

2-ethyl-1H-imidazole-4,5-dicarbonitrile (PubChem CID 5260593) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-ethyl-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-ethyl-1H-imidazole-4,5-dicarbonitrile
PubChem CID5260593
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name2-ethyl-1H-imidazole-4,5-dicarbonitrile
SMILESCCc1nc(C#N)c(C#N)[nH]1
InChIInChI=1S/C7H6N4/c1-2-7-10-5(3-8)6(4-9)11-7/h2H2,1H3,(H,10,11)
InChIKeyJBGUQPNUGTYMCR-UHFFFAOYSA-N
XLogP0.72
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-1H-imidazole-4,5-dicarbonitrile
CID 5260591
1H-Imidazole-4,5-dicarbonitrile, 2-amino-
CID 170446
2,4,5-Trimethylimidazole
CID 69976
4,5-Dimethyl-1H-imidazol-2-amine
CID 12485920
4,4',5,5'-Tetramethyl-2,2'-bisimidazole
CID 96790
2-methyl-1H-imidazole-4,5-dicarbonitrile
CID 3847698
2-bromo-1H-imidazole-4,5-dicarbonitrile
CID 2779148
2-bromo-4,5-dimethyl-1H-imidazole
CID 20156507
5-iodo-2,4-dimethyl-1H-imidazole
CID 613638
2,4,5-trimethyl-1H-imidazole hydrochloride
CID 67901281
2-(Trifluoromethyl)-1H-imidazole-4,5-dicarbonitrile
CID 604210
Imidazole, 5-methyl-2,4-ditrifluoromethyl-
CID 612777

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-ethyl-1H-imidazole-4,5-dicarbonitrile (CID 5260593) is 2-ethyl-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-ethyl-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-ethyl-1H-imidazole-4,5-dicarbonitrile is CCc1nc(C#N)c(C#N)[nH]1.
What is the InChIKey of 2-ethyl-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is JBGUQPNUGTYMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-2-7-10-5(3-8)6(4-9)11-7/h2H2,1H3,(H,10,11).
What are the key properties of 2-ethyl-1H-imidazole-4,5-dicarbonitrile?
2-ethyl-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 146.15 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 5260593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).