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

C11H11ClN2O — CID 868433

IUPAC1-[2-(2-chlorophenoxy)ethyl]imidazole
SMILESClc1ccccc1OCCn1ccnc1
InChIInChI=1S/C11H11ClN2O/c12-10-3-1-2-4-11(10)15-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2
InChIKeyQDDVZLYUUMSBEC-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.62
Rot. Bonds4

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

1-[2-(2-chlorophenoxy)ethyl]imidazole (PubChem CID 868433) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]imidazole
PubChem CID868433
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]imidazole
SMILESClc1ccccc1OCCn1ccnc1
InChIInChI=1S/C11H11ClN2O/c12-10-3-1-2-4-11(10)15-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2
InChIKeyQDDVZLYUUMSBEC-UHFFFAOYSA-N
XLogP2.62
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]imidazole (CID 868433) is 1-[2-(2-chlorophenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]imidazole is Clc1ccccc1OCCn1ccnc1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]imidazole?
The InChIKey is QDDVZLYUUMSBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-10-3-1-2-4-11(10)15-8-7-14-6-5-13-9-14/h1-6,9H,7-8H2.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]imidazole?
1-[2-(2-chlorophenoxy)ethyl]imidazole has a molecular weight of 222.68 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]imidazole is sourced from PubChem (CID 868433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).