2,5-dibromo-1-methylimidazole

C4H4Br2N2 — CID 2773360

IUPAC2,5-dibromo-1-methylimidazole
SMILESCn1c(Br)cnc1Br
InChIInChI=1S/C4H4Br2N2/c1-8-3(5)2-7-4(8)6/h2H,1H3
InChIKeyWVCRXJDDBGDCTA-UHFFFAOYSA-N
MW239.90 g/mol
LogP1.95
Rot. Bonds

About 2,5-dibromo-1-methylimidazole

2,5-dibromo-1-methylimidazole (PubChem CID 2773360) has the molecular formula C4H4Br2N2 and a molecular weight of 239.90 g/mol. Its IUPAC name is 2,5-dibromo-1-methylimidazole.

Molecular Properties

Compound Name2,5-dibromo-1-methylimidazole
PubChem CID2773360
Molecular FormulaC4H4Br2N2
Molecular Weight239.90 g/mol
Exact Mass237.87
IUPAC Name2,5-dibromo-1-methylimidazole
SMILESCn1c(Br)cnc1Br
InChIInChI=1S/C4H4Br2N2/c1-8-3(5)2-7-4(8)6/h2H,1H3
InChIKeyWVCRXJDDBGDCTA-UHFFFAOYSA-N
XLogP1.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.90
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-methylimidazole?
The IUPAC name of 2,5-dibromo-1-methylimidazole (CID 2773360) is 2,5-dibromo-1-methylimidazole.
What is the SMILES notation for 2,5-dibromo-1-methylimidazole?
The canonical SMILES for 2,5-dibromo-1-methylimidazole is Cn1c(Br)cnc1Br.
What is the InChIKey of 2,5-dibromo-1-methylimidazole?
The InChIKey is WVCRXJDDBGDCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2N2/c1-8-3(5)2-7-4(8)6/h2H,1H3.
What are the key properties of 2,5-dibromo-1-methylimidazole?
2,5-dibromo-1-methylimidazole has a molecular weight of 239.90 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-methylimidazole is sourced from PubChem (CID 2773360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).