2-bromo-1-tert-butyl-4-fluoroimidazole

C7H10BrFN2 — CID 147896395

IUPAC2-bromo-1-tert-butyl-4-fluoroimidazole
SMILESCC(C)(C)n1cc(F)nc1Br
InChIInChI=1S/C7H10BrFN2/c1-7(2,3)11-4-5(9)10-6(11)8/h4H,1-3H3
InChIKeyIDJPCOGHAQRZHS-UHFFFAOYSA-N
MW221.07 g/mol
LogP2.54
Rot. Bonds

About 2-bromo-1-tert-butyl-4-fluoroimidazole

2-bromo-1-tert-butyl-4-fluoroimidazole (PubChem CID 147896395) has the molecular formula C7H10BrFN2 and a molecular weight of 221.07 g/mol. Its IUPAC name is 2-bromo-1-tert-butyl-4-fluoroimidazole.

Molecular Properties

Compound Name2-bromo-1-tert-butyl-4-fluoroimidazole
PubChem CID147896395
Molecular FormulaC7H10BrFN2
Molecular Weight221.07 g/mol
Exact Mass220.00
IUPAC Name2-bromo-1-tert-butyl-4-fluoroimidazole
SMILESCC(C)(C)n1cc(F)nc1Br
InChIInChI=1S/C7H10BrFN2/c1-7(2,3)11-4-5(9)10-6(11)8/h4H,1-3H3
InChIKeyIDJPCOGHAQRZHS-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 2-bromo-1-tert-butyl-4-fluoroimidazole?
The IUPAC name of 2-bromo-1-tert-butyl-4-fluoroimidazole (CID 147896395) is 2-bromo-1-tert-butyl-4-fluoroimidazole.
What is the SMILES notation for 2-bromo-1-tert-butyl-4-fluoroimidazole?
The canonical SMILES for 2-bromo-1-tert-butyl-4-fluoroimidazole is CC(C)(C)n1cc(F)nc1Br.
What is the InChIKey of 2-bromo-1-tert-butyl-4-fluoroimidazole?
The InChIKey is IDJPCOGHAQRZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrFN2/c1-7(2,3)11-4-5(9)10-6(11)8/h4H,1-3H3.
What are the key properties of 2-bromo-1-tert-butyl-4-fluoroimidazole?
2-bromo-1-tert-butyl-4-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 2-bromo-1-tert-butyl-4-fluoroimidazole is sourced from PubChem (CID 147896395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).