1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole

C17H18N2O — CID 12698960

IUPAC1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole
SMILESCCOC(Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O/c1-2-20-17(12-19-10-9-18-13-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,13,17H,2,12H2,1H3
InChIKeyWRPSRVNCZTTZLO-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.81
Rot. Bonds5

About 1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole

1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole (PubChem CID 12698960) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole.

Molecular Properties

Compound Name1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole
PubChem CID12698960
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole
SMILESCCOC(Cn1ccnc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H18N2O/c1-2-20-17(12-19-10-9-18-13-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,13,17H,2,12H2,1H3
InChIKeyWRPSRVNCZTTZLO-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethoxy-2-naphthalen-2-ylethyl)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 1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole?
The IUPAC name of 1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole (CID 12698960) is 1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole.
What is the SMILES notation for 1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole?
The canonical SMILES for 1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole is CCOC(Cn1ccnc1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole?
The InChIKey is WRPSRVNCZTTZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-20-17(12-19-10-9-18-13-19)16-8-7-14-5-3-4-6-15(14)11-16/h3-11,13,17H,2,12H2,1H3.
What are the key properties of 1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole?
1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole has a molecular weight of 266.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-2-naphthalen-2-ylethyl)imidazole is sourced from PubChem (CID 12698960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).