5-bromo-2-methyl-1-(oxolan-2-yl)imidazole

C8H11BrN2O — CID 172992818

IUPAC5-bromo-2-methyl-1-(oxolan-2-yl)imidazole
SMILESCc1ncc(Br)n1C1CCCO1
InChIInChI=1S/C8H11BrN2O/c1-6-10-5-7(9)11(6)8-3-2-4-12-8/h5,8H,2-4H2,1H3
InChIKeyHJBQPNQWHHQWHT-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.26
Rot. Bonds1

About 5-bromo-2-methyl-1-(oxolan-2-yl)imidazole

5-bromo-2-methyl-1-(oxolan-2-yl)imidazole (PubChem CID 172992818) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 5-bromo-2-methyl-1-(oxolan-2-yl)imidazole.

Molecular Properties

Compound Name5-bromo-2-methyl-1-(oxolan-2-yl)imidazole
PubChem CID172992818
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name5-bromo-2-methyl-1-(oxolan-2-yl)imidazole
SMILESCc1ncc(Br)n1C1CCCO1
InChIInChI=1S/C8H11BrN2O/c1-6-10-5-7(9)11(6)8-3-2-4-12-8/h5,8H,2-4H2,1H3
InChIKeyHJBQPNQWHHQWHT-UHFFFAOYSA-N
XLogP2.26
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-1-(oxolan-2-yl)imidazole?
The IUPAC name of 5-bromo-2-methyl-1-(oxolan-2-yl)imidazole (CID 172992818) is 5-bromo-2-methyl-1-(oxolan-2-yl)imidazole.
What is the SMILES notation for 5-bromo-2-methyl-1-(oxolan-2-yl)imidazole?
The canonical SMILES for 5-bromo-2-methyl-1-(oxolan-2-yl)imidazole is Cc1ncc(Br)n1C1CCCO1.
What is the InChIKey of 5-bromo-2-methyl-1-(oxolan-2-yl)imidazole?
The InChIKey is HJBQPNQWHHQWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-6-10-5-7(9)11(6)8-3-2-4-12-8/h5,8H,2-4H2,1H3.
What are the key properties of 5-bromo-2-methyl-1-(oxolan-2-yl)imidazole?
5-bromo-2-methyl-1-(oxolan-2-yl)imidazole has a molecular weight of 231.09 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1-(oxolan-2-yl)imidazole is sourced from PubChem (CID 172992818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).