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

C7H10BrFN2 — CID 147265785

IUPAC5-bromo-1-tert-butyl-4-fluoroimidazole
SMILESCC(C)(C)n1cnc(F)c1Br
InChIInChI=1S/C7H10BrFN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3
InChIKeyCPLKVLDAJHSFRZ-UHFFFAOYSA-N
MW221.07 g/mol
LogP2.54
Rot. Bonds

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

5-bromo-1-tert-butyl-4-fluoroimidazole (PubChem CID 147265785) has the molecular formula C7H10BrFN2 and a molecular weight of 221.07 g/mol. Its IUPAC name is 5-bromo-1-tert-butyl-4-fluoroimidazole.

Molecular Properties

Compound Name5-bromo-1-tert-butyl-4-fluoroimidazole
PubChem CID147265785
Molecular FormulaC7H10BrFN2
Molecular Weight221.07 g/mol
Exact Mass220.00
IUPAC Name5-bromo-1-tert-butyl-4-fluoroimidazole
SMILESCC(C)(C)n1cnc(F)c1Br
InChIInChI=1S/C7H10BrFN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3
InChIKeyCPLKVLDAJHSFRZ-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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Related Compounds

5-Bromo-4-fluoro-1-methyl-1H-imidazole
CID 118798696
4,5-Dibromo-1-(2,2-difluoroethyl)-1H-imidazole
CID 122510619
1-Tert-butyl-4,5-difluoroimidazole
CID 146377990
1-Tert-butyl-5-chloro-4-fluoroimidazole
CID 146378005
1-Tert-butyl-4-fluoro-5-iodoimidazole
CID 146378062
1-Tert-butyl-4-chloro-5-fluoroimidazole
CID 146379604
1-Tert-butyl-5-fluoro-4-iodoimidazole
CID 146379617
2-Bromo-1-tert-butyl-4-fluoroimidazole
CID 147896395
2-Bromo-1-tert-butyl-5-fluoroimidazole
CID 148405471
4-Bromo-5-fluoro-1-methylimidazole
CID 151012059
4-Bromo-1-tert-butyl-5-fluoroimidazole
CID 153449769
4,5-Difluoro-1-propan-2-ylimidazole
CID 158575768

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-tert-butyl-4-fluoroimidazole?
The IUPAC name of 5-bromo-1-tert-butyl-4-fluoroimidazole (CID 147265785) is 5-bromo-1-tert-butyl-4-fluoroimidazole.
What is the SMILES notation for 5-bromo-1-tert-butyl-4-fluoroimidazole?
The canonical SMILES for 5-bromo-1-tert-butyl-4-fluoroimidazole is CC(C)(C)n1cnc(F)c1Br.
What is the InChIKey of 5-bromo-1-tert-butyl-4-fluoroimidazole?
The InChIKey is CPLKVLDAJHSFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrFN2/c1-7(2,3)11-4-10-6(9)5(11)8/h4H,1-3H3.
What are the key properties of 5-bromo-1-tert-butyl-4-fluoroimidazole?
5-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 5-bromo-1-tert-butyl-4-fluoroimidazole is sourced from PubChem (CID 147265785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).