4-fluoro-1,5-dimethylimidazole

C5H7FN2 — CID 146392737

IUPAC4-fluoro-1,5-dimethylimidazole
SMILESCc1c(F)ncn1C
InChIInChI=1S/C5H7FN2/c1-4-5(6)7-3-8(4)2/h3H,1-2H3
InChIKeyNGVUZMXCYYIURA-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.87
Rot. Bonds

About 4-fluoro-1,5-dimethylimidazole

4-fluoro-1,5-dimethylimidazole (PubChem CID 146392737) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 4-fluoro-1,5-dimethylimidazole.

Molecular Properties

Compound Name4-fluoro-1,5-dimethylimidazole
PubChem CID146392737
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name4-fluoro-1,5-dimethylimidazole
SMILESCc1c(F)ncn1C
InChIInChI=1S/C5H7FN2/c1-4-5(6)7-3-8(4)2/h3H,1-2H3
InChIKeyNGVUZMXCYYIURA-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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,5-dimethylimidazole?
The IUPAC name of 4-fluoro-1,5-dimethylimidazole (CID 146392737) is 4-fluoro-1,5-dimethylimidazole.
What is the SMILES notation for 4-fluoro-1,5-dimethylimidazole?
The canonical SMILES for 4-fluoro-1,5-dimethylimidazole is Cc1c(F)ncn1C.
What is the InChIKey of 4-fluoro-1,5-dimethylimidazole?
The InChIKey is NGVUZMXCYYIURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-4-5(6)7-3-8(4)2/h3H,1-2H3.
What are the key properties of 4-fluoro-1,5-dimethylimidazole?
4-fluoro-1,5-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 4-fluoro-1,5-dimethylimidazole is sourced from PubChem (CID 146392737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).