2-fluoro-1,4-dimethylimidazole

C5H7FN2 — CID 144946184

IUPAC2-fluoro-1,4-dimethylimidazole
SMILESCc1cn(C)c(F)n1
InChIInChI=1S/C5H7FN2/c1-4-3-8(2)5(6)7-4/h3H,1-2H3
InChIKeyXIPYMRYHWWEOHP-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.87
Rot. Bonds

About 2-fluoro-1,4-dimethylimidazole

2-fluoro-1,4-dimethylimidazole (PubChem CID 144946184) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 2-fluoro-1,4-dimethylimidazole.

Molecular Properties

Compound Name2-fluoro-1,4-dimethylimidazole
PubChem CID144946184
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name2-fluoro-1,4-dimethylimidazole
SMILESCc1cn(C)c(F)n1
InChIInChI=1S/C5H7FN2/c1-4-3-8(2)5(6)7-4/h3H,1-2H3
InChIKeyXIPYMRYHWWEOHP-UHFFFAOYSA-N
XLogP0.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-1,4-dimethylimidazole 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-1,4-dimethylimidazole?
The IUPAC name of 2-fluoro-1,4-dimethylimidazole (CID 144946184) is 2-fluoro-1,4-dimethylimidazole.
What is the SMILES notation for 2-fluoro-1,4-dimethylimidazole?
The canonical SMILES for 2-fluoro-1,4-dimethylimidazole is Cc1cn(C)c(F)n1.
What is the InChIKey of 2-fluoro-1,4-dimethylimidazole?
The InChIKey is XIPYMRYHWWEOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-4-3-8(2)5(6)7-4/h3H,1-2H3.
What are the key properties of 2-fluoro-1,4-dimethylimidazole?
2-fluoro-1,4-dimethylimidazole has a molecular weight of 114.12 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-dimethylimidazole is sourced from PubChem (CID 144946184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).