1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole

C13H15ClN2O — CID 756647

IUPAC1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole
SMILESCc1cc(Cl)cc(C)c1OCCn1ccnc1
InChIInChI=1S/C13H15ClN2O/c1-10-7-12(14)8-11(2)13(10)17-6-5-16-4-3-15-9-16/h3-4,7-9H,5-6H2,1-2H3
InChIKeyHPGLBSZZIJWNOV-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.23
Rot. Bonds4

About 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole

1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole (PubChem CID 756647) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole
PubChem CID756647
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole
SMILESCc1cc(Cl)cc(C)c1OCCn1ccnc1
InChIInChI=1S/C13H15ClN2O/c1-10-7-12(14)8-11(2)13(10)17-6-5-16-4-3-15-9-16/h3-4,7-9H,5-6H2,1-2H3
InChIKeyHPGLBSZZIJWNOV-UHFFFAOYSA-N
XLogP3.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole (CID 756647) is 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole is Cc1cc(Cl)cc(C)c1OCCn1ccnc1.
What is the InChIKey of 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole?
The InChIKey is HPGLBSZZIJWNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-10-7-12(14)8-11(2)13(10)17-6-5-16-4-3-15-9-16/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole?
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole has a molecular weight of 250.73 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole is sourced from PubChem (CID 756647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).