4-bromo-1-(oxolan-3-yl)imidazole

C7H9BrN2O — CID 66520752

IUPAC4-bromo-1-(oxolan-3-yl)imidazole
SMILESBrc1cn(C2CCOC2)cn1
InChIInChI=1S/C7H9BrN2O/c8-7-3-10(5-9-7)6-1-2-11-4-6/h3,5-6H,1-2,4H2
InChIKeyBUAYYDBXGOTBFO-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.61
Rot. Bonds1

About 4-bromo-1-(oxolan-3-yl)imidazole

4-bromo-1-(oxolan-3-yl)imidazole (PubChem CID 66520752) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 4-bromo-1-(oxolan-3-yl)imidazole.

Molecular Properties

Compound Name4-bromo-1-(oxolan-3-yl)imidazole
PubChem CID66520752
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name4-bromo-1-(oxolan-3-yl)imidazole
SMILESBrc1cn(C2CCOC2)cn1
InChIInChI=1S/C7H9BrN2O/c8-7-3-10(5-9-7)6-1-2-11-4-6/h3,5-6H,1-2,4H2
InChIKeyBUAYYDBXGOTBFO-UHFFFAOYSA-N
XLogP1.61
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(oxolan-3-yl)imidazole?
The IUPAC name of 4-bromo-1-(oxolan-3-yl)imidazole (CID 66520752) is 4-bromo-1-(oxolan-3-yl)imidazole.
What is the SMILES notation for 4-bromo-1-(oxolan-3-yl)imidazole?
The canonical SMILES for 4-bromo-1-(oxolan-3-yl)imidazole is Brc1cn(C2CCOC2)cn1.
What is the InChIKey of 4-bromo-1-(oxolan-3-yl)imidazole?
The InChIKey is BUAYYDBXGOTBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c8-7-3-10(5-9-7)6-1-2-11-4-6/h3,5-6H,1-2,4H2.
What are the key properties of 4-bromo-1-(oxolan-3-yl)imidazole?
4-bromo-1-(oxolan-3-yl)imidazole has a molecular weight of 217.07 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(oxolan-3-yl)imidazole is sourced from PubChem (CID 66520752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).