5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole

C11H11ClN2O — CID 10561026

IUPAC5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole
SMILESClc1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C11H11ClN2O/c12-9-1-3-11(4-2-9)15-6-5-10-7-13-8-14-10/h1-4,7-8H,5-6H2,(H,13,14)
InChIKeyBWFKHVZUOOKZRC-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.68
Rot. Bonds4

About 5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole

5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole (PubChem CID 10561026) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole
PubChem CID10561026
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole
SMILESClc1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C11H11ClN2O/c12-9-1-3-11(4-2-9)15-6-5-10-7-13-8-14-10/h1-4,7-8H,5-6H2,(H,13,14)
InChIKeyBWFKHVZUOOKZRC-UHFFFAOYSA-N
XLogP2.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole?
The IUPAC name of 5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole (CID 10561026) is 5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole?
The canonical SMILES for 5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole is Clc1ccc(OCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole?
The InChIKey is BWFKHVZUOOKZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-9-1-3-11(4-2-9)15-6-5-10-7-13-8-14-10/h1-4,7-8H,5-6H2,(H,13,14).
What are the key properties of 5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole?
5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole has a molecular weight of 222.68 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)ethyl]-1H-imidazole is sourced from PubChem (CID 10561026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).