1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole

C15H12Cl2N2S2 — CID 70620777

IUPAC1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole
SMILESClc1ccc(C(Sc2cccs2)C(Cl)n2ccnc2)cc1
InChIInChI=1S/C15H12Cl2N2S2/c16-12-5-3-11(4-6-12)14(21-13-2-1-9-20-13)15(17)19-8-7-18-10-19/h1-10,14-15H
InChIKeyPBQFOKUDQKYEFO-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.87
Rot. Bonds5

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

1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole (PubChem CID 70620777) has the molecular formula C15H12Cl2N2S2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole.

Molecular Properties

Compound Name1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole
PubChem CID70620777
Molecular FormulaC15H12Cl2N2S2
Molecular Weight355.32 g/mol
Exact Mass353.98
IUPAC Name1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole
SMILESClc1ccc(C(Sc2cccs2)C(Cl)n2ccnc2)cc1
InChIInChI=1S/C15H12Cl2N2S2/c16-12-5-3-11(4-6-12)14(21-13-2-1-9-20-13)15(17)19-8-7-18-10-19/h1-10,14-15H
InChIKeyPBQFOKUDQKYEFO-UHFFFAOYSA-N
XLogP5.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-chloro-2-(4-chlorophenyl)-2-phenylsulfanylethyl]imidazole
CID 70637358
1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole
CID 70636344
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-phenylethanedithioate
CID 88825112
S-[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-sulfanylpropanethioate
CID 88824708
S-[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)ethanethioate
CID 88823868
propan-2-yl [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylformate
CID 88823445
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 4-fluorobenzenecarbodithioate
CID 88824377
1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole
CID 70611026
O-[(4-methylphenyl)methyl] [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylmethanethioate
CID 88824618
[2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl] pentanedithioate;nitric acid
CID 88824801
O-hexyl [2-chloro-1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylmethanethioate
CID 88824541
1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
CID 57395780

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole?
The IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole (CID 70620777) is 1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole.
What is the SMILES notation for 1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole?
The canonical SMILES for 1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole is Clc1ccc(C(Sc2cccs2)C(Cl)n2ccnc2)cc1.
What is the InChIKey of 1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole?
The InChIKey is PBQFOKUDQKYEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2S2/c16-12-5-3-11(4-6-12)14(21-13-2-1-9-20-13)15(17)19-8-7-18-10-19/h1-10,14-15H.
What are the key properties of 1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole?
1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole has a molecular weight of 355.32 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-chloro-2-(4-chlorophenyl)-2-thiophen-2-ylsulfanylethyl]imidazole is sourced from PubChem (CID 70620777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).