1-[4-(3-ethoxyphenoxy)butyl]imidazole

C15H20N2O2 — CID 2923325

IUPAC1-[4-(3-ethoxyphenoxy)butyl]imidazole
SMILESCCOc1cccc(OCCCCn2ccnc2)c1
InChIInChI=1S/C15H20N2O2/c1-2-18-14-6-5-7-15(12-14)19-11-4-3-9-17-10-8-16-13-17/h5-8,10,12-13H,2-4,9,11H2,1H3
InChIKeyRSLYNSPZRITMBV-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.14
Rot. Bonds8

About 1-[4-(3-ethoxyphenoxy)butyl]imidazole

1-[4-(3-ethoxyphenoxy)butyl]imidazole (PubChem CID 2923325) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[4-(3-ethoxyphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(3-ethoxyphenoxy)butyl]imidazole
PubChem CID2923325
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-[4-(3-ethoxyphenoxy)butyl]imidazole
SMILESCCOc1cccc(OCCCCn2ccnc2)c1
InChIInChI=1S/C15H20N2O2/c1-2-18-14-6-5-7-15(12-14)19-11-4-3-9-17-10-8-16-13-17/h5-8,10,12-13H,2-4,9,11H2,1H3
InChIKeyRSLYNSPZRITMBV-UHFFFAOYSA-N
XLogP3.14
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[4-(3-ethoxyphenoxy)butyl]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-[4-(3-ethoxyphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(3-ethoxyphenoxy)butyl]imidazole (CID 2923325) is 1-[4-(3-ethoxyphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(3-ethoxyphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(3-ethoxyphenoxy)butyl]imidazole is CCOc1cccc(OCCCCn2ccnc2)c1.
What is the InChIKey of 1-[4-(3-ethoxyphenoxy)butyl]imidazole?
The InChIKey is RSLYNSPZRITMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-18-14-6-5-7-15(12-14)19-11-4-3-9-17-10-8-16-13-17/h5-8,10,12-13H,2-4,9,11H2,1H3.
What are the key properties of 1-[4-(3-ethoxyphenoxy)butyl]imidazole?
1-[4-(3-ethoxyphenoxy)butyl]imidazole has a molecular weight of 260.34 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxyphenoxy)butyl]imidazole is sourced from PubChem (CID 2923325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).