4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole

C7H10Br2N2O — CID 166095136

IUPAC4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole
SMILESCOCCn1c(C)nc(Br)c1Br
InChIInChI=1S/C7H10Br2N2O/c1-5-10-6(8)7(9)11(5)3-4-12-2/h3-4H2,1-2H3
InChIKeyHLENARJQUMJVGK-UHFFFAOYSA-N
MW297.98 g/mol
LogP2.36
Rot. Bonds3

About 4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole

4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole (PubChem CID 166095136) has the molecular formula C7H10Br2N2O and a molecular weight of 297.98 g/mol. Its IUPAC name is 4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole.

Molecular Properties

Compound Name4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole
PubChem CID166095136
Molecular FormulaC7H10Br2N2O
Molecular Weight297.98 g/mol
Exact Mass295.92
IUPAC Name4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole
SMILESCOCCn1c(C)nc(Br)c1Br
InChIInChI=1S/C7H10Br2N2O/c1-5-10-6(8)7(9)11(5)3-4-12-2/h3-4H2,1-2H3
InChIKeyHLENARJQUMJVGK-UHFFFAOYSA-N
XLogP2.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.98
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole?
The IUPAC name of 4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole (CID 166095136) is 4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole.
What is the SMILES notation for 4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole?
The canonical SMILES for 4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole is COCCn1c(C)nc(Br)c1Br.
What is the InChIKey of 4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole?
The InChIKey is HLENARJQUMJVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2N2O/c1-5-10-6(8)7(9)11(5)3-4-12-2/h3-4H2,1-2H3.
What are the key properties of 4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole?
4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole has a molecular weight of 297.98 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1-(2-methoxyethyl)-2-methylimidazole is sourced from PubChem (CID 166095136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).