1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole

C17H12Cl4N2O — CID 24768399

IUPAC1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc(OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl4N2O/c18-11-1-3-13(14(20)7-11)17(9-23-6-5-22-10-23)24-16-4-2-12(19)8-15(16)21/h1-8,10,17H,9H2
InChIKeyZSEJKLXYMYILHA-UHFFFAOYSA-N
MW402.11 g/mol
LogP6.32
Rot. Bonds5

About 1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole

1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole (PubChem CID 24768399) has the molecular formula C17H12Cl4N2O and a molecular weight of 402.11 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole
PubChem CID24768399
Molecular FormulaC17H12Cl4N2O
Molecular Weight402.11 g/mol
Exact Mass399.97
IUPAC Name1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc(OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl4N2O/c18-11-1-3-13(14(20)7-11)17(9-23-6-5-22-10-23)24-16-4-2-12(19)8-15(16)21/h1-8,10,17H,9H2
InChIKeyZSEJKLXYMYILHA-UHFFFAOYSA-N
XLogP6.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.11
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole (CID 24768399) is 1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole is Clc1ccc(OC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole?
The InChIKey is ZSEJKLXYMYILHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl4N2O/c18-11-1-3-13(14(20)7-11)17(9-23-6-5-22-10-23)24-16-4-2-12(19)8-15(16)21/h1-8,10,17H,9H2.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole?
1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole has a molecular weight of 402.11 g/mol, XLogP of 6.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole is sourced from PubChem (CID 24768399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).