4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole

C11H15BrN2O — CID 130505240

IUPAC4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole
SMILESBrCc1cn(CC2CC3CCC2O3)cn1
InChIInChI=1S/C11H15BrN2O/c12-4-9-6-14(7-13-9)5-8-3-10-1-2-11(8)15-10/h6-8,10-11H,1-5H2
InChIKeyYNCUDIFWSKVGRN-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.35
Rot. Bonds3

About 4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole

4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole (PubChem CID 130505240) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole.

Molecular Properties

Compound Name4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole
PubChem CID130505240
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole
SMILESBrCc1cn(CC2CC3CCC2O3)cn1
InChIInChI=1S/C11H15BrN2O/c12-4-9-6-14(7-13-9)5-8-3-10-1-2-11(8)15-10/h6-8,10-11H,1-5H2
InChIKeyYNCUDIFWSKVGRN-UHFFFAOYSA-N
XLogP2.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole?
The IUPAC name of 4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole (CID 130505240) is 4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole.
What is the SMILES notation for 4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole?
The canonical SMILES for 4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole is BrCc1cn(CC2CC3CCC2O3)cn1.
What is the InChIKey of 4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole?
The InChIKey is YNCUDIFWSKVGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-4-9-6-14(7-13-9)5-8-3-10-1-2-11(8)15-10/h6-8,10-11H,1-5H2.
What are the key properties of 4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole?
4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole has a molecular weight of 271.16 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-1-(7-oxabicyclo[2.2.1]heptan-2-ylmethyl)imidazole is sourced from PubChem (CID 130505240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).