2-bromo-1,4-dimethylimidazole

C5H7BrN2 — CID 7204877

IUPAC2-bromo-1,4-dimethylimidazole
SMILESCc1cn(C)c(Br)n1
InChIInChI=1S/C5H7BrN2/c1-4-3-8(2)5(6)7-4/h3H,1-2H3
InChIKeyJKVMBWITGAWCIG-UHFFFAOYSA-N
MW175.03 g/mol
LogP1.49
Rot. Bonds

About 2-bromo-1,4-dimethylimidazole

2-bromo-1,4-dimethylimidazole (PubChem CID 7204877) has the molecular formula C5H7BrN2 and a molecular weight of 175.03 g/mol. Its IUPAC name is 2-bromo-1,4-dimethylimidazole.

Molecular Properties

Compound Name2-bromo-1,4-dimethylimidazole
PubChem CID7204877
Molecular FormulaC5H7BrN2
Molecular Weight175.03 g/mol
Exact Mass173.98
IUPAC Name2-bromo-1,4-dimethylimidazole
SMILESCc1cn(C)c(Br)n1
InChIInChI=1S/C5H7BrN2/c1-4-3-8(2)5(6)7-4/h3H,1-2H3
InChIKeyJKVMBWITGAWCIG-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-1,4-dimethylimidazole?
The IUPAC name of 2-bromo-1,4-dimethylimidazole (CID 7204877) is 2-bromo-1,4-dimethylimidazole.
What is the SMILES notation for 2-bromo-1,4-dimethylimidazole?
The canonical SMILES for 2-bromo-1,4-dimethylimidazole is Cc1cn(C)c(Br)n1.
What is the InChIKey of 2-bromo-1,4-dimethylimidazole?
The InChIKey is JKVMBWITGAWCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2/c1-4-3-8(2)5(6)7-4/h3H,1-2H3.
What are the key properties of 2-bromo-1,4-dimethylimidazole?
2-bromo-1,4-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-1,4-dimethylimidazole is sourced from PubChem (CID 7204877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).