1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole

C15H20N2O3 — CID 2924394

IUPAC1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole
SMILESCCOc1ccc(OCCOCCn2ccnc2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-19-14-3-5-15(6-4-14)20-12-11-18-10-9-17-8-7-16-13-17/h3-8,13H,2,9-12H2,1H3
InChIKeyLHOTXXMERIQQDK-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.38
Rot. Bonds9

About 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole

1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole (PubChem CID 2924394) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole
PubChem CID2924394
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole
SMILESCCOc1ccc(OCCOCCn2ccnc2)cc1
InChIInChI=1S/C15H20N2O3/c1-2-19-14-3-5-15(6-4-14)20-12-11-18-10-9-17-8-7-16-13-17/h3-8,13H,2,9-12H2,1H3
InChIKeyLHOTXXMERIQQDK-UHFFFAOYSA-N
XLogP2.38
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole?
The IUPAC name of 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole (CID 2924394) is 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole is CCOc1ccc(OCCOCCn2ccnc2)cc1.
What is the InChIKey of 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole?
The InChIKey is LHOTXXMERIQQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-19-14-3-5-15(6-4-14)20-12-11-18-10-9-17-8-7-16-13-17/h3-8,13H,2,9-12H2,1H3.
What are the key properties of 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole?
1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole has a molecular weight of 276.34 g/mol, XLogP of 2.38, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]imidazole is sourced from PubChem (CID 2924394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).