2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole

C13H18N2O2 — CID 95450542

IUPAC2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCCOc1ccc(OCCC2=NCCN2)cc1
InChIInChI=1S/C13H18N2O2/c1-2-16-11-3-5-12(6-4-11)17-10-7-13-14-8-9-15-13/h3-6H,2,7-10H2,1H3,(H,14,15)
InChIKeyDQCVEJALNOTOGD-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.86
Rot. Bonds6

About 2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole

2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 95450542) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID95450542
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCCOc1ccc(OCCC2=NCCN2)cc1
InChIInChI=1S/C13H18N2O2/c1-2-16-11-3-5-12(6-4-11)17-10-7-13-14-8-9-15-13/h3-6H,2,7-10H2,1H3,(H,14,15)
InChIKeyDQCVEJALNOTOGD-UHFFFAOYSA-N
XLogP1.86
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole (CID 95450542) is 2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole is CCOc1ccc(OCCC2=NCCN2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is DQCVEJALNOTOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-16-11-3-5-12(6-4-11)17-10-7-13-14-8-9-15-13/h3-6H,2,7-10H2,1H3,(H,14,15).
What are the key properties of 2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 234.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 95450542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).