4-bromo-1-tert-butyl-5-fluoroimidazole

C7H10BrFN2 — CID 153449769

IUPAC4-bromo-1-tert-butyl-5-fluoroimidazole
SMILESCC(C)(C)n1cnc(Br)c1F
InChIInChI=1S/C7H10BrFN2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3
InChIKeyLFMPAYAULOSKTN-UHFFFAOYSA-N
MW221.07 g/mol
LogP2.54
Rot. Bonds

About 4-bromo-1-tert-butyl-5-fluoroimidazole

4-bromo-1-tert-butyl-5-fluoroimidazole (PubChem CID 153449769) has the molecular formula C7H10BrFN2 and a molecular weight of 221.07 g/mol. Its IUPAC name is 4-bromo-1-tert-butyl-5-fluoroimidazole.

Molecular Properties

Compound Name4-bromo-1-tert-butyl-5-fluoroimidazole
PubChem CID153449769
Molecular FormulaC7H10BrFN2
Molecular Weight221.07 g/mol
Exact Mass220.00
IUPAC Name4-bromo-1-tert-butyl-5-fluoroimidazole
SMILESCC(C)(C)n1cnc(Br)c1F
InChIInChI=1S/C7H10BrFN2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3
InChIKeyLFMPAYAULOSKTN-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-tert-butyl-5-fluoroimidazole?
The IUPAC name of 4-bromo-1-tert-butyl-5-fluoroimidazole (CID 153449769) is 4-bromo-1-tert-butyl-5-fluoroimidazole.
What is the SMILES notation for 4-bromo-1-tert-butyl-5-fluoroimidazole?
The canonical SMILES for 4-bromo-1-tert-butyl-5-fluoroimidazole is CC(C)(C)n1cnc(Br)c1F.
What is the InChIKey of 4-bromo-1-tert-butyl-5-fluoroimidazole?
The InChIKey is LFMPAYAULOSKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrFN2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3.
What are the key properties of 4-bromo-1-tert-butyl-5-fluoroimidazole?
4-bromo-1-tert-butyl-5-fluoroimidazole has a molecular weight of 221.07 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-tert-butyl-5-fluoroimidazole is sourced from PubChem (CID 153449769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).