1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole

C18H15Cl3N2S — CID 21402194

IUPAC1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H15Cl3N2S/c19-15-4-1-13(2-5-15)11-24-18(10-23-8-7-22-12-23)14-3-6-16(20)17(21)9-14/h1-9,12,18H,10-11H2
InChIKeyUICZTRXMGJPBLT-UHFFFAOYSA-N
MW397.76 g/mol
LogP6.52
Rot. Bonds6

About 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole

1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole (PubChem CID 21402194) has the molecular formula C18H15Cl3N2S and a molecular weight of 397.76 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole
PubChem CID21402194
Molecular FormulaC18H15Cl3N2S
Molecular Weight397.76 g/mol
Exact Mass396.00
IUPAC Name1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole
SMILESClc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H15Cl3N2S/c19-15-4-1-13(2-5-15)11-24-18(10-23-8-7-22-12-23)14-3-6-16(20)17(21)9-14/h1-9,12,18H,10-11H2
InChIKeyUICZTRXMGJPBLT-UHFFFAOYSA-N
XLogP6.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.76
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402379
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole
CID 21402330
1-[2,2-bis[(4-chlorophenyl)methylsulfanyl]ethyl]imidazole;hydrochloride
CID 13320313
1-[2-[(3,4-dichlorophenyl)methylsulfanyl]-2-(4-nitrophenyl)ethyl]imidazole
CID 21402271
bis(1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole);nitric acid
CID 135290396
1-[2-(3,4-dichlorophenyl)-2-(3,4,5-trichlorophenyl)sulfanylethyl]imidazole
CID 21402409
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(2,4-dichlorophenyl)ethyl]imidazole;1H-imidazole
CID 159216337
[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl] 2-(4-chlorophenyl)acetate
CID 21422263
[1-(3,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanyl-propoxysulfanylmethanone
CID 21420967
1-[2-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402393
1-[2-(2,4-dichlorophenyl)-2-prop-2-ynylsulfanylethyl]imidazole
CID 21402168
1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
CID 54282523

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole (CID 21402194) is 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole is Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole?
The InChIKey is UICZTRXMGJPBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2S/c19-15-4-1-13(2-5-15)11-24-18(10-23-8-7-22-12-23)14-3-6-16(20)17(21)9-14/h1-9,12,18H,10-11H2.
What are the key properties of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole?
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole has a molecular weight of 397.76 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole is sourced from PubChem (CID 21402194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).