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

C5HFN4 — CID 10773025

IUPAC2-fluoro-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(F)[nH]c1C#N
InChIInChI=1S/C5HFN4/c6-5-9-3(1-7)4(2-8)10-5/h(H,9,10)
InChIKeyDMGNUOXOIAGFGV-UHFFFAOYSA-N
MW136.09 g/mol
LogP0.29
Rot. Bonds

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

2-fluoro-1H-imidazole-4,5-dicarbonitrile (PubChem CID 10773025) has the molecular formula C5HFN4 and a molecular weight of 136.09 g/mol. Its IUPAC name is 2-fluoro-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-fluoro-1H-imidazole-4,5-dicarbonitrile
PubChem CID10773025
Molecular FormulaC5HFN4
Molecular Weight136.09 g/mol
Exact Mass136.02
IUPAC Name2-fluoro-1H-imidazole-4,5-dicarbonitrile
SMILESN#Cc1nc(F)[nH]c1C#N
InChIInChI=1S/C5HFN4/c6-5-9-3(1-7)4(2-8)10-5/h(H,9,10)
InChIKeyDMGNUOXOIAGFGV-UHFFFAOYSA-N
XLogP0.29
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-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-fluoro-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-fluoro-1H-imidazole-4,5-dicarbonitrile (CID 10773025) is 2-fluoro-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-fluoro-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-fluoro-1H-imidazole-4,5-dicarbonitrile is N#Cc1nc(F)[nH]c1C#N.
What is the InChIKey of 2-fluoro-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is DMGNUOXOIAGFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HFN4/c6-5-9-3(1-7)4(2-8)10-5/h(H,9,10).
What are the key properties of 2-fluoro-1H-imidazole-4,5-dicarbonitrile?
2-fluoro-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 136.09 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 10773025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).