5-bromo-1-ethyl-2-fluoroimidazole

C5H6BrFN2 — CID 172993786

IUPAC5-bromo-1-ethyl-2-fluoroimidazole
SMILESCCn1c(Br)cnc1F
InChIInChI=1S/C5H6BrFN2/c1-2-9-4(6)3-8-5(9)7/h3H,2H2,1H3
InChIKeyOFPPHUFJUQAXMX-UHFFFAOYSA-N
MW193.02 g/mol
LogP1.80
Rot. Bonds1

About 5-bromo-1-ethyl-2-fluoroimidazole

5-bromo-1-ethyl-2-fluoroimidazole (PubChem CID 172993786) has the molecular formula C5H6BrFN2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-fluoroimidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-fluoroimidazole
PubChem CID172993786
Molecular FormulaC5H6BrFN2
Molecular Weight193.02 g/mol
Exact Mass191.97
IUPAC Name5-bromo-1-ethyl-2-fluoroimidazole
SMILESCCn1c(Br)cnc1F
InChIInChI=1S/C5H6BrFN2/c1-2-9-4(6)3-8-5(9)7/h3H,2H2,1H3
InChIKeyOFPPHUFJUQAXMX-UHFFFAOYSA-N
XLogP1.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-fluoroimidazole?
The IUPAC name of 5-bromo-1-ethyl-2-fluoroimidazole (CID 172993786) is 5-bromo-1-ethyl-2-fluoroimidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-fluoroimidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-fluoroimidazole is CCn1c(Br)cnc1F.
What is the InChIKey of 5-bromo-1-ethyl-2-fluoroimidazole?
The InChIKey is OFPPHUFJUQAXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2/c1-2-9-4(6)3-8-5(9)7/h3H,2H2,1H3.
What are the key properties of 5-bromo-1-ethyl-2-fluoroimidazole?
5-bromo-1-ethyl-2-fluoroimidazole has a molecular weight of 193.02 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-2-fluoroimidazole is sourced from PubChem (CID 172993786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).