5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole

C13H16N2O — CID 10727460

IUPAC5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
SMILESCCc1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N2O/c1-2-11-3-5-13(6-4-11)16-8-7-12-9-14-10-15-12/h3-6,9-10H,2,7-8H2,1H3,(H,14,15)
InChIKeyFWIRIRPBCDTRAF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.59
Rot. Bonds5

About 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole

5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole (PubChem CID 10727460) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
PubChem CID10727460
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
SMILESCCc1ccc(OCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N2O/c1-2-11-3-5-13(6-4-11)16-8-7-12-9-14-10-15-12/h3-6,9-10H,2,7-8H2,1H3,(H,14,15)
InChIKeyFWIRIRPBCDTRAF-UHFFFAOYSA-N
XLogP2.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole?
The IUPAC name of 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole (CID 10727460) is 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole?
The canonical SMILES for 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole is CCc1ccc(OCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole?
The InChIKey is FWIRIRPBCDTRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-11-3-5-13(6-4-11)16-8-7-12-9-14-10-15-12/h3-6,9-10H,2,7-8H2,1H3,(H,14,15).
What are the key properties of 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole?
5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole has a molecular weight of 216.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethylphenoxy)ethyl]-1H-imidazole is sourced from PubChem (CID 10727460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).