4-bromo-5-tert-butyl-2-fluoro-1H-imidazole

C7H10BrFN2 — CID 147564719

IUPAC4-bromo-5-tert-butyl-2-fluoro-1H-imidazole
SMILESCC(C)(C)c1[nH]c(F)nc1Br
InChIInChI=1S/C7H10BrFN2/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H,10,11)
InChIKeyFTIKHIWMOJXRGP-UHFFFAOYSA-N
MW221.07 g/mol
LogP2.61
Rot. Bonds

About 4-bromo-5-tert-butyl-2-fluoro-1H-imidazole

4-bromo-5-tert-butyl-2-fluoro-1H-imidazole (PubChem CID 147564719) has the molecular formula C7H10BrFN2 and a molecular weight of 221.07 g/mol. Its IUPAC name is 4-bromo-5-tert-butyl-2-fluoro-1H-imidazole.

Molecular Properties

Compound Name4-bromo-5-tert-butyl-2-fluoro-1H-imidazole
PubChem CID147564719
Molecular FormulaC7H10BrFN2
Molecular Weight221.07 g/mol
Exact Mass220.00
IUPAC Name4-bromo-5-tert-butyl-2-fluoro-1H-imidazole
SMILESCC(C)(C)c1[nH]c(F)nc1Br
InChIInChI=1S/C7H10BrFN2/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H,10,11)
InChIKeyFTIKHIWMOJXRGP-UHFFFAOYSA-N
XLogP2.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-tert-butyl-2-fluoro-1H-imidazole?
The IUPAC name of 4-bromo-5-tert-butyl-2-fluoro-1H-imidazole (CID 147564719) is 4-bromo-5-tert-butyl-2-fluoro-1H-imidazole.
What is the SMILES notation for 4-bromo-5-tert-butyl-2-fluoro-1H-imidazole?
The canonical SMILES for 4-bromo-5-tert-butyl-2-fluoro-1H-imidazole is CC(C)(C)c1[nH]c(F)nc1Br.
What is the InChIKey of 4-bromo-5-tert-butyl-2-fluoro-1H-imidazole?
The InChIKey is FTIKHIWMOJXRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrFN2/c1-7(2,3)4-5(8)11-6(9)10-4/h1-3H3,(H,10,11).
What are the key properties of 4-bromo-5-tert-butyl-2-fluoro-1H-imidazole?
4-bromo-5-tert-butyl-2-fluoro-1H-imidazole has a molecular weight of 221.07 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-tert-butyl-2-fluoro-1H-imidazole is sourced from PubChem (CID 147564719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).