4,5-dibromo-1-prop-2-enylimidazole

C6H6Br2N2 — CID 10706844

IUPAC4,5-dibromo-1-prop-2-enylimidazole
SMILESC=CCn1cnc(Br)c1Br
InChIInChI=1S/C6H6Br2N2/c1-2-3-10-4-9-5(7)6(10)8/h2,4H,1,3H2
InChIKeyHNCSDVYNTUSPAA-UHFFFAOYSA-N
MW265.94 g/mol
LogP2.59
Rot. Bonds2

About 4,5-dibromo-1-prop-2-enylimidazole

4,5-dibromo-1-prop-2-enylimidazole (PubChem CID 10706844) has the molecular formula C6H6Br2N2 and a molecular weight of 265.94 g/mol. Its IUPAC name is 4,5-dibromo-1-prop-2-enylimidazole.

Molecular Properties

Compound Name4,5-dibromo-1-prop-2-enylimidazole
PubChem CID10706844
Molecular FormulaC6H6Br2N2
Molecular Weight265.94 g/mol
Exact Mass263.89
IUPAC Name4,5-dibromo-1-prop-2-enylimidazole
SMILESC=CCn1cnc(Br)c1Br
InChIInChI=1S/C6H6Br2N2/c1-2-3-10-4-9-5(7)6(10)8/h2,4H,1,3H2
InChIKeyHNCSDVYNTUSPAA-UHFFFAOYSA-N
XLogP2.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.94
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-prop-2-enylimidazole?
The IUPAC name of 4,5-dibromo-1-prop-2-enylimidazole (CID 10706844) is 4,5-dibromo-1-prop-2-enylimidazole.
What is the SMILES notation for 4,5-dibromo-1-prop-2-enylimidazole?
The canonical SMILES for 4,5-dibromo-1-prop-2-enylimidazole is C=CCn1cnc(Br)c1Br.
What is the InChIKey of 4,5-dibromo-1-prop-2-enylimidazole?
The InChIKey is HNCSDVYNTUSPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2N2/c1-2-3-10-4-9-5(7)6(10)8/h2,4H,1,3H2.
What are the key properties of 4,5-dibromo-1-prop-2-enylimidazole?
4,5-dibromo-1-prop-2-enylimidazole has a molecular weight of 265.94 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-prop-2-enylimidazole is sourced from PubChem (CID 10706844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).