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

C11H10Cl2N2 — CID 14744586

IUPAC2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
SMILESClc1ccc(CCc2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2/c12-9-3-1-8(10(13)7-9)2-4-11-14-5-6-15-11/h1,3,5-7H,2,4H2,(H,14,15)
InChIKeyWELUMDZPYXSQIK-UHFFFAOYSA-N
MW241.12 g/mol
LogP3.50
Rot. Bonds3

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

2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole (PubChem CID 14744586) has the molecular formula C11H10Cl2N2 and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
PubChem CID14744586
Molecular FormulaC11H10Cl2N2
Molecular Weight241.12 g/mol
Exact Mass240.02
IUPAC Name2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole
SMILESClc1ccc(CCc2ncc[nH]2)c(Cl)c1
InChIInChI=1S/C11H10Cl2N2/c12-9-3-1-8(10(13)7-9)2-4-11-14-5-6-15-11/h1,3,5-7H,2,4H2,(H,14,15)
InChIKeyWELUMDZPYXSQIK-UHFFFAOYSA-N
XLogP3.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole (CID 14744586) is 2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole is Clc1ccc(CCc2ncc[nH]2)c(Cl)c1.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole?
The InChIKey is WELUMDZPYXSQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2/c12-9-3-1-8(10(13)7-9)2-4-11-14-5-6-15-11/h1,3,5-7H,2,4H2,(H,14,15).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole?
2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole has a molecular weight of 241.12 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 14744586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).