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

C13H16Cl2N2O — CID 24761429

IUPAC1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
SMILESCc1cc(Cl)cc(C)c1OCCn1ccnc1.Cl
InChIInChI=1S/C13H15ClN2O.ClH/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;1H
InChIKeyVCUISIAXWGGDGJ-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.65
Rot. Bonds4

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

1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride (PubChem CID 24761429) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
PubChem CID24761429
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride
SMILESCc1cc(Cl)cc(C)c1OCCn1ccnc1.Cl
InChIInChI=1S/C13H15ClN2O.ClH/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;1H
InChIKeyVCUISIAXWGGDGJ-UHFFFAOYSA-N
XLogP3.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-imidazol-1-ylethoxy)-3,5-dimethylphenyl]methanamine
CID 60878467
1-[4-(2,4,6-trimethylphenoxy)butyl]imidazole;hydrochloride
CID 2851015
4-(2-imidazol-1-ylethoxy)-3,5-dimethylbenzoic acid
CID 28932799
1-[5-(2,4,6-trimethylphenoxy)pentyl]imidazole
CID 2850907
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-[5-chloro-2-(2-imidazol-1-ylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 104664553
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
5-bromo-2-(2-imidazol-1-ylethoxy)-3-methylbenzenesulfonamide
CID 82914576
5-bromo-2-(3-imidazol-1-ylpropoxy)-3-methylaniline
CID 79842991
1-[3-chloro-4-(2-imidazol-1-ylethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 60878545
1-[3,5-dichloro-2-(3-imidazol-1-ylpropoxy)phenyl]propan-2-amine
CID 61493243
7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one
CID 3074198

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride?
The IUPAC name of 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride (CID 24761429) is 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride.
What is the SMILES notation for 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride?
The canonical SMILES for 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride is Cc1cc(Cl)cc(C)c1OCCn1ccnc1.Cl.
What is the InChIKey of 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride?
The InChIKey is VCUISIAXWGGDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O.ClH/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;1H.
What are the key properties of 1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride?
1-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]imidazole;hydrochloride has a molecular weight of 287.19 g/mol, XLogP of 3.65, 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;hydrochloride is sourced from PubChem (CID 24761429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).