1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole

C14H18N2O2 — CID 115624859

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole
SMILESCOc1ccc(OCCn2cnc(C)c2C)cc1
InChIInChI=1S/C14H18N2O2/c1-11-12(2)16(10-15-11)8-9-18-14-6-4-13(17-3)5-7-14/h4-7,10H,8-9H2,1-3H3
InChIKeySXLCHBYQFFNLAG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.59
Rot. Bonds5

About 1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole

1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole (PubChem CID 115624859) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole
PubChem CID115624859
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole
SMILESCOc1ccc(OCCn2cnc(C)c2C)cc1
InChIInChI=1S/C14H18N2O2/c1-11-12(2)16(10-15-11)8-9-18-14-6-4-13(17-3)5-7-14/h4-7,10H,8-9H2,1-3H3
InChIKeySXLCHBYQFFNLAG-UHFFFAOYSA-N
XLogP2.59
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole (CID 115624859) is 1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole is COc1ccc(OCCn2cnc(C)c2C)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole?
The InChIKey is SXLCHBYQFFNLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-12(2)16(10-15-11)8-9-18-14-6-4-13(17-3)5-7-14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole?
1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole has a molecular weight of 246.31 g/mol, XLogP of 2.59, 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]-4,5-dimethylimidazole is sourced from PubChem (CID 115624859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).