1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole

C13H16N2O2 — CID 887351

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
SMILESCOc1ccc(OCCn2ccnc2C)cc1
InChIInChI=1S/C13H16N2O2/c1-11-14-7-8-15(11)9-10-17-13-5-3-12(16-2)4-6-13/h3-8H,9-10H2,1-2H3
InChIKeyJFRZZEGWBSSKEN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole

1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole (PubChem CID 887351) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
PubChem CID887351
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
SMILESCOc1ccc(OCCn2ccnc2C)cc1
InChIInChI=1S/C13H16N2O2/c1-11-14-7-8-15(11)9-10-17-13-5-3-12(16-2)4-6-13/h3-8H,9-10H2,1-2H3
InChIKeyJFRZZEGWBSSKEN-UHFFFAOYSA-N
XLogP2.28
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol
CID 61493838
1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole
CID 2935203
2-[5-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493842
(1S)-1-[4-methoxy-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 82001790
N-methyl-1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-2-amine
CID 115494840
5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole
CID 80640824
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910
1-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylimidazole
CID 82727722
1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole
CID 115624859
1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one
CID 113226507
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
CID 75396526

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole (CID 887351) is 1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole is COc1ccc(OCCn2ccnc2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole?
The InChIKey is JFRZZEGWBSSKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-11-14-7-8-15(11)9-10-17-13-5-3-12(16-2)4-6-13/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole?
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole has a molecular weight of 232.28 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole is sourced from PubChem (CID 887351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).