4-bromo-5-fluoro-1-methylimidazole

C4H4BrFN2 — CID 151012059

IUPAC4-bromo-5-fluoro-1-methylimidazole
SMILESCn1cnc(Br)c1F
InChIInChI=1S/C4H4BrFN2/c1-8-2-7-3(5)4(8)6/h2H,1H3
InChIKeyLWHOIOGMNSFWKA-UHFFFAOYSA-N
MW178.99 g/mol
LogP1.32
Rot. Bonds

About 4-bromo-5-fluoro-1-methylimidazole

4-bromo-5-fluoro-1-methylimidazole (PubChem CID 151012059) has the molecular formula C4H4BrFN2 and a molecular weight of 178.99 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1-methylimidazole.

Molecular Properties

Compound Name4-bromo-5-fluoro-1-methylimidazole
PubChem CID151012059
Molecular FormulaC4H4BrFN2
Molecular Weight178.99 g/mol
Exact Mass177.95
IUPAC Name4-bromo-5-fluoro-1-methylimidazole
SMILESCn1cnc(Br)c1F
InChIInChI=1S/C4H4BrFN2/c1-8-2-7-3(5)4(8)6/h2H,1H3
InChIKeyLWHOIOGMNSFWKA-UHFFFAOYSA-N
XLogP1.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.99
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1-methylimidazole?
The IUPAC name of 4-bromo-5-fluoro-1-methylimidazole (CID 151012059) is 4-bromo-5-fluoro-1-methylimidazole.
What is the SMILES notation for 4-bromo-5-fluoro-1-methylimidazole?
The canonical SMILES for 4-bromo-5-fluoro-1-methylimidazole is Cn1cnc(Br)c1F.
What is the InChIKey of 4-bromo-5-fluoro-1-methylimidazole?
The InChIKey is LWHOIOGMNSFWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrFN2/c1-8-2-7-3(5)4(8)6/h2H,1H3.
What are the key properties of 4-bromo-5-fluoro-1-methylimidazole?
4-bromo-5-fluoro-1-methylimidazole has a molecular weight of 178.99 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-1-methylimidazole is sourced from PubChem (CID 151012059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).