2,4-dibromo-1-cyclobutylimidazole

C7H8Br2N2 — CID 172993208

IUPAC2,4-dibromo-1-cyclobutylimidazole
SMILESBrc1cn(C2CCC2)c(Br)n1
InChIInChI=1S/C7H8Br2N2/c8-6-4-11(7(9)10-6)5-2-1-3-5/h4-5H,1-3H2
InChIKeyLSOBPOZBQFXQBB-UHFFFAOYSA-N
MW279.96 g/mol
LogP3.13
Rot. Bonds1

About 2,4-dibromo-1-cyclobutylimidazole

2,4-dibromo-1-cyclobutylimidazole (PubChem CID 172993208) has the molecular formula C7H8Br2N2 and a molecular weight of 279.96 g/mol. Its IUPAC name is 2,4-dibromo-1-cyclobutylimidazole.

Molecular Properties

Compound Name2,4-dibromo-1-cyclobutylimidazole
PubChem CID172993208
Molecular FormulaC7H8Br2N2
Molecular Weight279.96 g/mol
Exact Mass277.91
IUPAC Name2,4-dibromo-1-cyclobutylimidazole
SMILESBrc1cn(C2CCC2)c(Br)n1
InChIInChI=1S/C7H8Br2N2/c8-6-4-11(7(9)10-6)5-2-1-3-5/h4-5H,1-3H2
InChIKeyLSOBPOZBQFXQBB-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.96
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1-cyclobutylimidazole?
The IUPAC name of 2,4-dibromo-1-cyclobutylimidazole (CID 172993208) is 2,4-dibromo-1-cyclobutylimidazole.
What is the SMILES notation for 2,4-dibromo-1-cyclobutylimidazole?
The canonical SMILES for 2,4-dibromo-1-cyclobutylimidazole is Brc1cn(C2CCC2)c(Br)n1.
What is the InChIKey of 2,4-dibromo-1-cyclobutylimidazole?
The InChIKey is LSOBPOZBQFXQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2/c8-6-4-11(7(9)10-6)5-2-1-3-5/h4-5H,1-3H2.
What are the key properties of 2,4-dibromo-1-cyclobutylimidazole?
2,4-dibromo-1-cyclobutylimidazole has a molecular weight of 279.96 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1-cyclobutylimidazole is sourced from PubChem (CID 172993208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).