2,5-dibromo-1-(2-fluoroethyl)imidazole

C5H5Br2FN2 — CID 84713114

IUPAC2,5-dibromo-1-(2-fluoroethyl)imidazole
SMILESFCCn1c(Br)cnc1Br
InChIInChI=1S/C5H5Br2FN2/c6-4-3-9-5(7)10(4)2-1-8/h3H,1-2H2
InChIKeyOTHDTOZSIWUICY-UHFFFAOYSA-N
MW271.91 g/mol
LogP2.38
Rot. Bonds2

About 2,5-dibromo-1-(2-fluoroethyl)imidazole

2,5-dibromo-1-(2-fluoroethyl)imidazole (PubChem CID 84713114) has the molecular formula C5H5Br2FN2 and a molecular weight of 271.91 g/mol. Its IUPAC name is 2,5-dibromo-1-(2-fluoroethyl)imidazole.

Molecular Properties

Compound Name2,5-dibromo-1-(2-fluoroethyl)imidazole
PubChem CID84713114
Molecular FormulaC5H5Br2FN2
Molecular Weight271.91 g/mol
Exact Mass269.88
IUPAC Name2,5-dibromo-1-(2-fluoroethyl)imidazole
SMILESFCCn1c(Br)cnc1Br
InChIInChI=1S/C5H5Br2FN2/c6-4-3-9-5(7)10(4)2-1-8/h3H,1-2H2
InChIKeyOTHDTOZSIWUICY-UHFFFAOYSA-N
XLogP2.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.91
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylimidazole
CID 1390
1-Vinylimidazole
CID 66171
1-Ethyl-1H-imidazole
CID 81540
2-Bromo-1-methyl-1H-imidazole
CID 2773262
1-Ethyl-3-methylimidazolium bromide
CID 2734235
5-Bromo-1-methyl-1H-imidazole
CID 1515258
(1-Imidazolyl)acetonitrile
CID 11804695
4-Bromo-1-methyl-1H-imidazole
CID 1277653
1-Ethyl-2,3-dimethylimidazolium bromide
CID 2734240
2,5-Dibromo-1-methyl-1H-imidazole
CID 2773360
2,4-Dibromo-1-methyl-1H-imidazole
CID 7204880
1-Methylimidazole-d6
CID 11343986

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-(2-fluoroethyl)imidazole?
The IUPAC name of 2,5-dibromo-1-(2-fluoroethyl)imidazole (CID 84713114) is 2,5-dibromo-1-(2-fluoroethyl)imidazole.
What is the SMILES notation for 2,5-dibromo-1-(2-fluoroethyl)imidazole?
The canonical SMILES for 2,5-dibromo-1-(2-fluoroethyl)imidazole is FCCn1c(Br)cnc1Br.
What is the InChIKey of 2,5-dibromo-1-(2-fluoroethyl)imidazole?
The InChIKey is OTHDTOZSIWUICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br2FN2/c6-4-3-9-5(7)10(4)2-1-8/h3H,1-2H2.
What are the key properties of 2,5-dibromo-1-(2-fluoroethyl)imidazole?
2,5-dibromo-1-(2-fluoroethyl)imidazole has a molecular weight of 271.91 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-(2-fluoroethyl)imidazole is sourced from PubChem (CID 84713114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).