1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole

C17H14Cl2N2S — CID 70637358

IUPAC1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole
SMILESClc1ccc(C(Sc2ccccc2)C(Cl)n2ccnc2)cc1
InChIInChI=1S/C17H14Cl2N2S/c18-14-8-6-13(7-9-14)16(17(19)21-11-10-20-12-21)22-15-4-2-1-3-5-15/h1-12,16-17H
InChIKeyLDKWIRAEIWACHB-UHFFFAOYSA-N
MW349.29 g/mol
LogP5.81
Rot. Bonds5

About 1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole

1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole (PubChem CID 70637358) has the molecular formula C17H14Cl2N2S and a molecular weight of 349.29 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole.

Molecular Properties

Compound Name1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole
PubChem CID70637358
Molecular FormulaC17H14Cl2N2S
Molecular Weight349.29 g/mol
Exact Mass348.03
IUPAC Name1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole
SMILESClc1ccc(C(Sc2ccccc2)C(Cl)n2ccnc2)cc1
InChIInChI=1S/C17H14Cl2N2S/c18-14-8-6-13(7-9-14)16(17(19)21-11-10-20-12-21)22-15-4-2-1-3-5-15/h1-12,16-17H
InChIKeyLDKWIRAEIWACHB-UHFFFAOYSA-N
XLogP5.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.29
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]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-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole?
The IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole (CID 70637358) is 1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole.
What is the SMILES notation for 1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole?
The canonical SMILES for 1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole is Clc1ccc(C(Sc2ccccc2)C(Cl)n2ccnc2)cc1.
What is the InChIKey of 1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole?
The InChIKey is LDKWIRAEIWACHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2S/c18-14-8-6-13(7-9-14)16(17(19)21-11-10-20-12-21)22-15-4-2-1-3-5-15/h1-12,16-17H.
What are the key properties of 1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole?
1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole has a molecular weight of 349.29 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole is sourced from PubChem (CID 70637358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).