5-bromo-1-cyclobutyl-2-methoxyimidazole

C8H11BrN2O — CID 172993203

IUPAC5-bromo-1-cyclobutyl-2-methoxyimidazole
SMILESCOc1ncc(Br)n1C1CCC1
InChIInChI=1S/C8H11BrN2O/c1-12-8-10-5-7(9)11(8)6-3-2-4-6/h5-6H,2-4H2,1H3
InChIKeyLYSPPCZXQVSRDS-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.38
Rot. Bonds2

About 5-bromo-1-cyclobutyl-2-methoxyimidazole

5-bromo-1-cyclobutyl-2-methoxyimidazole (PubChem CID 172993203) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 5-bromo-1-cyclobutyl-2-methoxyimidazole.

Molecular Properties

Compound Name5-bromo-1-cyclobutyl-2-methoxyimidazole
PubChem CID172993203
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name5-bromo-1-cyclobutyl-2-methoxyimidazole
SMILESCOc1ncc(Br)n1C1CCC1
InChIInChI=1S/C8H11BrN2O/c1-12-8-10-5-7(9)11(8)6-3-2-4-6/h5-6H,2-4H2,1H3
InChIKeyLYSPPCZXQVSRDS-UHFFFAOYSA-N
XLogP2.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclobutyl-2-methoxyimidazole?
The IUPAC name of 5-bromo-1-cyclobutyl-2-methoxyimidazole (CID 172993203) is 5-bromo-1-cyclobutyl-2-methoxyimidazole.
What is the SMILES notation for 5-bromo-1-cyclobutyl-2-methoxyimidazole?
The canonical SMILES for 5-bromo-1-cyclobutyl-2-methoxyimidazole is COc1ncc(Br)n1C1CCC1.
What is the InChIKey of 5-bromo-1-cyclobutyl-2-methoxyimidazole?
The InChIKey is LYSPPCZXQVSRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-12-8-10-5-7(9)11(8)6-3-2-4-6/h5-6H,2-4H2,1H3.
What are the key properties of 5-bromo-1-cyclobutyl-2-methoxyimidazole?
5-bromo-1-cyclobutyl-2-methoxyimidazole has a molecular weight of 231.09 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclobutyl-2-methoxyimidazole is sourced from PubChem (CID 172993203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).