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

Analyze 2-ethyl-1H-imidazole-4,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).