2-bromo-1,5-dimethylimidazole

C5H7BrN2 — CID 7204876

IUPAC2-bromo-1,5-dimethylimidazole
SMILESCc1cnc(Br)n1C
InChIInChI=1S/C5H7BrN2/c1-4-3-7-5(6)8(4)2/h3H,1-2H3
InChIKeyCQONRJOUCSSFLX-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.49
Rot. Bonds

About 2-bromo-1,5-dimethylimidazole

2-bromo-1,5-dimethylimidazole (PubChem CID 7204876) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 2-bromo-1,5-dimethylimidazole.

Molecular Properties

Compound Name2-bromo-1,5-dimethylimidazole
PubChem CID7204876
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name2-bromo-1,5-dimethylimidazole
SMILESCc1cnc(Br)n1C
InChIInChI=1S/C5H7BrN2/c1-4-3-7-5(6)8(4)2/h3H,1-2H3
InChIKeyCQONRJOUCSSFLX-UHFFFAOYSA-N
XLogP1.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.03
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,5-dimethylimidazole?
The IUPAC name of 2-bromo-1,5-dimethylimidazole (CID 7204876) is 2-bromo-1,5-dimethylimidazole.
What is the SMILES notation for 2-bromo-1,5-dimethylimidazole?
The canonical SMILES for 2-bromo-1,5-dimethylimidazole is Cc1cnc(Br)n1C.
What is the InChIKey of 2-bromo-1,5-dimethylimidazole?
The InChIKey is CQONRJOUCSSFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-4-3-7-5(6)8(4)2/h3H,1-2H3.
What are the key properties of 2-bromo-1,5-dimethylimidazole?
2-bromo-1,5-dimethylimidazole has a molecular weight of 175.03 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,5-dimethylimidazole is sourced from PubChem (CID 7204876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).