4-bromo-1-(oxan-4-yl)imidazole

C8H11BrN2O — CID 66520754

IUPAC4-bromo-1-(oxan-4-yl)imidazole
SMILESBrc1cn(C2CCOCC2)cn1
InChIInChI=1S/C8H11BrN2O/c9-8-5-11(6-10-8)7-1-3-12-4-2-7/h5-7H,1-4H2
InChIKeyGKRHVNPCXXWYJO-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.00
Rot. Bonds1

About 4-bromo-1-(oxan-4-yl)imidazole

4-bromo-1-(oxan-4-yl)imidazole (PubChem CID 66520754) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 4-bromo-1-(oxan-4-yl)imidazole.

Molecular Properties

Compound Name4-bromo-1-(oxan-4-yl)imidazole
PubChem CID66520754
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name4-bromo-1-(oxan-4-yl)imidazole
SMILESBrc1cn(C2CCOCC2)cn1
InChIInChI=1S/C8H11BrN2O/c9-8-5-11(6-10-8)7-1-3-12-4-2-7/h5-7H,1-4H2
InChIKeyGKRHVNPCXXWYJO-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-(oxan-4-yl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(oxan-4-yl)imidazole?
The IUPAC name of 4-bromo-1-(oxan-4-yl)imidazole (CID 66520754) is 4-bromo-1-(oxan-4-yl)imidazole.
What is the SMILES notation for 4-bromo-1-(oxan-4-yl)imidazole?
The canonical SMILES for 4-bromo-1-(oxan-4-yl)imidazole is Brc1cn(C2CCOCC2)cn1.
What is the InChIKey of 4-bromo-1-(oxan-4-yl)imidazole?
The InChIKey is GKRHVNPCXXWYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c9-8-5-11(6-10-8)7-1-3-12-4-2-7/h5-7H,1-4H2.
What are the key properties of 4-bromo-1-(oxan-4-yl)imidazole?
4-bromo-1-(oxan-4-yl)imidazole has a molecular weight of 231.09 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(oxan-4-yl)imidazole is sourced from PubChem (CID 66520754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).