1,2-dimethylimidazole-4,5-dicarbonitrile

C7H6N4 — CID 15721927

IUPAC1,2-dimethylimidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)n1C
InChIInChI=1S/C7H6N4/c1-5-10-6(3-8)7(4-9)11(5)2/h1-2H3
InChIKeyFLCJYTVCMWZSGR-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.47
Rot. Bonds

About 1,2-dimethylimidazole-4,5-dicarbonitrile

1,2-dimethylimidazole-4,5-dicarbonitrile (PubChem CID 15721927) has the molecular formula C7H6N4 and a molecular weight of 146.15 g/mol. Its IUPAC name is 1,2-dimethylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1,2-dimethylimidazole-4,5-dicarbonitrile
PubChem CID15721927
Molecular FormulaC7H6N4
Molecular Weight146.15 g/mol
Exact Mass146.06
IUPAC Name1,2-dimethylimidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)n1C
InChIInChI=1S/C7H6N4/c1-5-10-6(3-8)7(4-9)11(5)2/h1-2H3
InChIKeyFLCJYTVCMWZSGR-UHFFFAOYSA-N
XLogP0.47
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2-dimethylimidazole-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 1,2-dimethylimidazole-4,5-dicarbonitrile?
The IUPAC name of 1,2-dimethylimidazole-4,5-dicarbonitrile (CID 15721927) is 1,2-dimethylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1,2-dimethylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 1,2-dimethylimidazole-4,5-dicarbonitrile is Cc1nc(C#N)c(C#N)n1C.
What is the InChIKey of 1,2-dimethylimidazole-4,5-dicarbonitrile?
The InChIKey is FLCJYTVCMWZSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4/c1-5-10-6(3-8)7(4-9)11(5)2/h1-2H3.
What are the key properties of 1,2-dimethylimidazole-4,5-dicarbonitrile?
1,2-dimethylimidazole-4,5-dicarbonitrile has a molecular weight of 146.15 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 15721927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).