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

C11H10BrClN2O — CID 803458

IUPAC1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole
SMILESClc1cc(Br)ccc1OCCn1ccnc1
InChIInChI=1S/C11H10BrClN2O/c12-9-1-2-11(10(13)7-9)16-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2
InChIKeyHCSGBTHDEVTXLS-UHFFFAOYSA-N
MW301.57 g/mol
LogP3.38
Rot. Bonds4

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

1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole (PubChem CID 803458) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole
PubChem CID803458
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole
SMILESClc1cc(Br)ccc1OCCn1ccnc1
InChIInChI=1S/C11H10BrClN2O/c12-9-1-2-11(10(13)7-9)16-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2
InChIKeyHCSGBTHDEVTXLS-UHFFFAOYSA-N
XLogP3.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole (CID 803458) is 1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole is Clc1cc(Br)ccc1OCCn1ccnc1.
What is the InChIKey of 1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole?
The InChIKey is HCSGBTHDEVTXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c12-9-1-2-11(10(13)7-9)16-6-5-15-4-3-14-8-15/h1-4,7-8H,5-6H2.
What are the key properties of 1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole?
1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole has a molecular weight of 301.57 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-chlorophenoxy)ethyl]imidazole is sourced from PubChem (CID 803458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).