5-bromo-1-(2-fluoroethyl)imidazole

C5H6BrFN2 — CID 84664434

IUPAC5-bromo-1-(2-fluoroethyl)imidazole
SMILESFCCn1cncc1Br
InChIInChI=1S/C5H6BrFN2/c6-5-3-8-4-9(5)2-1-7/h3-4H,1-2H2
InChIKeyWKISLLVRMXKZCF-UHFFFAOYSA-N
MW193.02 g/mol
LogP1.62
Rot. Bonds2

About 5-bromo-1-(2-fluoroethyl)imidazole

5-bromo-1-(2-fluoroethyl)imidazole (PubChem CID 84664434) has the molecular formula C5H6BrFN2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 5-bromo-1-(2-fluoroethyl)imidazole.

Molecular Properties

Compound Name5-bromo-1-(2-fluoroethyl)imidazole
PubChem CID84664434
Molecular FormulaC5H6BrFN2
Molecular Weight193.02 g/mol
Exact Mass191.97
IUPAC Name5-bromo-1-(2-fluoroethyl)imidazole
SMILESFCCn1cncc1Br
InChIInChI=1S/C5H6BrFN2/c6-5-3-8-4-9(5)2-1-7/h3-4H,1-2H2
InChIKeyWKISLLVRMXKZCF-UHFFFAOYSA-N
XLogP1.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-fluoroethyl)imidazole?
The IUPAC name of 5-bromo-1-(2-fluoroethyl)imidazole (CID 84664434) is 5-bromo-1-(2-fluoroethyl)imidazole.
What is the SMILES notation for 5-bromo-1-(2-fluoroethyl)imidazole?
The canonical SMILES for 5-bromo-1-(2-fluoroethyl)imidazole is FCCn1cncc1Br.
What is the InChIKey of 5-bromo-1-(2-fluoroethyl)imidazole?
The InChIKey is WKISLLVRMXKZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2/c6-5-3-8-4-9(5)2-1-7/h3-4H,1-2H2.
What are the key properties of 5-bromo-1-(2-fluoroethyl)imidazole?
5-bromo-1-(2-fluoroethyl)imidazole has a molecular weight of 193.02 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-fluoroethyl)imidazole is sourced from PubChem (CID 84664434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).