1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole

C11H10BrFN2O — CID 28782467

IUPAC1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole
SMILESFc1ccc(OCCn2ccnc2)c(Br)c1
InChIInChI=1S/C11H10BrFN2O/c12-10-7-9(13)1-2-11(10)16-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2
InChIKeyUGATYPKBVYNUHF-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.86
Rot. Bonds4

About 1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole

1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole (PubChem CID 28782467) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole
PubChem CID28782467
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole
SMILESFc1ccc(OCCn2ccnc2)c(Br)c1
InChIInChI=1S/C11H10BrFN2O/c12-10-7-9(13)1-2-11(10)16-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2
InChIKeyUGATYPKBVYNUHF-UHFFFAOYSA-N
XLogP2.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole (CID 28782467) is 1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole is Fc1ccc(OCCn2ccnc2)c(Br)c1.
What is the InChIKey of 1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole?
The InChIKey is UGATYPKBVYNUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-10-7-9(13)1-2-11(10)16-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2.
What are the key properties of 1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole?
1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole has a molecular weight of 285.12 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromo-4-fluorophenoxy)ethyl]imidazole is sourced from PubChem (CID 28782467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).