1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride

C11H12Cl2N2O — CID 2847300

IUPAC1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride
SMILESCl.Clc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C11H11ClN2O.ClH/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14;/h1-5,8-9H,6-7H2;1H
InChIKeyNGTNIMZHZBZCDJ-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.04
Rot. Bonds4

About 1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride

1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride (PubChem CID 2847300) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride
PubChem CID2847300
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride
SMILESCl.Clc1cccc(OCCn2ccnc2)c1
InChIInChI=1S/C11H11ClN2O.ClH/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14;/h1-5,8-9H,6-7H2;1H
InChIKeyNGTNIMZHZBZCDJ-UHFFFAOYSA-N
XLogP3.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride (CID 2847300) is 1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride is Cl.Clc1cccc(OCCn2ccnc2)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride?
The InChIKey is NGTNIMZHZBZCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O.ClH/c12-10-2-1-3-11(8-10)15-7-6-14-5-4-13-9-14;/h1-5,8-9H,6-7H2;1H.
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride?
1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride has a molecular weight of 259.14 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]imidazole;hydrochloride is sourced from PubChem (CID 2847300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).