4,5-dibromo-1-tert-butylimidazole

C7H10Br2N2 — CID 129303239

IUPAC4,5-dibromo-1-tert-butylimidazole
SMILESCC(C)(C)n1cnc(Br)c1Br
InChIInChI=1S/C7H10Br2N2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3
InChIKeyGXBBTISFHBJMGQ-UHFFFAOYSA-N
MW281.98 g/mol
LogP3.16
Rot. Bonds

About 4,5-dibromo-1-tert-butylimidazole

4,5-dibromo-1-tert-butylimidazole (PubChem CID 129303239) has the molecular formula C7H10Br2N2 and a molecular weight of 281.98 g/mol. Its IUPAC name is 4,5-dibromo-1-tert-butylimidazole.

Molecular Properties

Compound Name4,5-dibromo-1-tert-butylimidazole
PubChem CID129303239
Molecular FormulaC7H10Br2N2
Molecular Weight281.98 g/mol
Exact Mass279.92
IUPAC Name4,5-dibromo-1-tert-butylimidazole
SMILESCC(C)(C)n1cnc(Br)c1Br
InChIInChI=1S/C7H10Br2N2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3
InChIKeyGXBBTISFHBJMGQ-UHFFFAOYSA-N
XLogP3.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.98
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-tert-butylimidazole?
The IUPAC name of 4,5-dibromo-1-tert-butylimidazole (CID 129303239) is 4,5-dibromo-1-tert-butylimidazole.
What is the SMILES notation for 4,5-dibromo-1-tert-butylimidazole?
The canonical SMILES for 4,5-dibromo-1-tert-butylimidazole is CC(C)(C)n1cnc(Br)c1Br.
What is the InChIKey of 4,5-dibromo-1-tert-butylimidazole?
The InChIKey is GXBBTISFHBJMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2N2/c1-7(2,3)11-4-10-5(8)6(11)9/h4H,1-3H3.
What are the key properties of 4,5-dibromo-1-tert-butylimidazole?
4,5-dibromo-1-tert-butylimidazole has a molecular weight of 281.98 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-tert-butylimidazole is sourced from PubChem (CID 129303239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).