2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole

C11H10ClIN2 — CID 61085033

IUPAC2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
SMILESClC(Cc1ncc[nH]1)c1ccc(I)cc1
InChIInChI=1S/C11H10ClIN2/c12-10(7-11-14-5-6-15-11)8-1-3-9(13)4-2-8/h1-6,10H,7H2,(H,14,15)
InChIKeyQCFCWEVGIRECBC-UHFFFAOYSA-N
MW332.57 g/mol
LogP3.54
Rot. Bonds3

About 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole

2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole (PubChem CID 61085033) has the molecular formula C11H10ClIN2 and a molecular weight of 332.57 g/mol. Its IUPAC name is 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
PubChem CID61085033
Molecular FormulaC11H10ClIN2
Molecular Weight332.57 g/mol
Exact Mass331.96
IUPAC Name2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
SMILESClC(Cc1ncc[nH]1)c1ccc(I)cc1
InChIInChI=1S/C11H10ClIN2/c12-10(7-11-14-5-6-15-11)8-1-3-9(13)4-2-8/h1-6,10H,7H2,(H,14,15)
InChIKeyQCFCWEVGIRECBC-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.57
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-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 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole (CID 61085033) is 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole is ClC(Cc1ncc[nH]1)c1ccc(I)cc1.
What is the InChIKey of 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole?
The InChIKey is QCFCWEVGIRECBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN2/c12-10(7-11-14-5-6-15-11)8-1-3-9(13)4-2-8/h1-6,10H,7H2,(H,14,15).
What are the key properties of 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole?
2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole has a molecular weight of 332.57 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 61085033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).