1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole

C17H13Cl3N2S — CID 70636344

IUPAC1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole
SMILESClc1ccc(C(Sc2cccc(Cl)c2)C(Cl)n2ccnc2)cc1
InChIInChI=1S/C17H13Cl3N2S/c18-13-6-4-12(5-7-13)16(17(20)22-9-8-21-11-22)23-15-3-1-2-14(19)10-15/h1-11,16-17H
InChIKeyFZEGEKOVKKVGHD-UHFFFAOYSA-N
MW383.73 g/mol
LogP6.46
Rot. Bonds5

About 1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole

1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole (PubChem CID 70636344) has the molecular formula C17H13Cl3N2S and a molecular weight of 383.73 g/mol. Its IUPAC name is 1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole.

Molecular Properties

Compound Name1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole
PubChem CID70636344
Molecular FormulaC17H13Cl3N2S
Molecular Weight383.73 g/mol
Exact Mass381.99
IUPAC Name1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole
SMILESClc1ccc(C(Sc2cccc(Cl)c2)C(Cl)n2ccnc2)cc1
InChIInChI=1S/C17H13Cl3N2S/c18-13-6-4-12(5-7-13)16(17(20)22-9-8-21-11-22)23-15-3-1-2-14(19)10-15/h1-11,16-17H
InChIKeyFZEGEKOVKKVGHD-UHFFFAOYSA-N
XLogP6.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.73
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-thiophen-2-ylsulfanylethyl]imidazole
CID 70620777
[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
1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole
CID 70611026
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)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole?
The IUPAC name of 1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole (CID 70636344) is 1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole.
What is the SMILES notation for 1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole?
The canonical SMILES for 1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole is Clc1ccc(C(Sc2cccc(Cl)c2)C(Cl)n2ccnc2)cc1.
What is the InChIKey of 1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole?
The InChIKey is FZEGEKOVKKVGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2S/c18-13-6-4-12(5-7-13)16(17(20)22-9-8-21-11-22)23-15-3-1-2-14(19)10-15/h1-11,16-17H.
What are the key properties of 1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole?
1-[1-chloro-2-(4-chlorophenyl)-2-(3-chlorophenyl)sulfanylethyl]imidazole has a molecular weight of 383.73 g/mol, XLogP of 6.46, 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-(3-chlorophenyl)sulfanylethyl]imidazole is sourced from PubChem (CID 70636344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).