4-bromo-1-(1-fluoroethyl)imidazole

C5H6BrFN2 — CID 138656638

IUPAC4-bromo-1-(1-fluoroethyl)imidazole
SMILESCC(F)n1cnc(Br)c1
InChIInChI=1S/C5H6BrFN2/c1-4(7)9-2-5(6)8-3-9/h2-4H,1H3
InChIKeyPMSXFHSSLYYOOF-UHFFFAOYSA-N
MW193.02 g/mol
LogP2.13
Rot. Bonds1

About 4-bromo-1-(1-fluoroethyl)imidazole

4-bromo-1-(1-fluoroethyl)imidazole (PubChem CID 138656638) has the molecular formula C5H6BrFN2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 4-bromo-1-(1-fluoroethyl)imidazole.

Molecular Properties

Compound Name4-bromo-1-(1-fluoroethyl)imidazole
PubChem CID138656638
Molecular FormulaC5H6BrFN2
Molecular Weight193.02 g/mol
Exact Mass191.97
IUPAC Name4-bromo-1-(1-fluoroethyl)imidazole
SMILESCC(F)n1cnc(Br)c1
InChIInChI=1S/C5H6BrFN2/c1-4(7)9-2-5(6)8-3-9/h2-4H,1H3
InChIKeyPMSXFHSSLYYOOF-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(1-fluoroethyl)imidazole?
The IUPAC name of 4-bromo-1-(1-fluoroethyl)imidazole (CID 138656638) is 4-bromo-1-(1-fluoroethyl)imidazole.
What is the SMILES notation for 4-bromo-1-(1-fluoroethyl)imidazole?
The canonical SMILES for 4-bromo-1-(1-fluoroethyl)imidazole is CC(F)n1cnc(Br)c1.
What is the InChIKey of 4-bromo-1-(1-fluoroethyl)imidazole?
The InChIKey is PMSXFHSSLYYOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2/c1-4(7)9-2-5(6)8-3-9/h2-4H,1H3.
What are the key properties of 4-bromo-1-(1-fluoroethyl)imidazole?
4-bromo-1-(1-fluoroethyl)imidazole has a molecular weight of 193.02 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(1-fluoroethyl)imidazole is sourced from PubChem (CID 138656638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).