Econazole

C₁₈H₁₅Cl₃N₂O — CID 3198

About Econazole

Econazole (PubChem CID 3198) has the molecular formula C₁₈H₁₅Cl₃N₂O and a molecular weight of 381.69 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.

Molecular Properties

• Compound Name: Econazole
• PubChem CID: 3198
• Molecular Formula: C₁₈H₁₅Cl₃N₂O
• Molecular Weight: 381.69 g/mol
• Exact Mass: 380.02
• IUPAC Name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
• SMILES: Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
• InChIKey: LEZWWPYKPKIXLL-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 27.05 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	381.69
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Econazole?

The IUPAC name of Econazole (CID 3198) is 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole.

What is the SMILES notation for Econazole?

The canonical SMILES for Econazole is Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.

What is the InChIKey of Econazole?

The InChIKey is LEZWWPYKPKIXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2.

What are the key properties of Econazole?

Econazole has a molecular weight of 381.69 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Econazole is sourced from PubChem (CID 3198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3198 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 983 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.