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

C18H14Cl4N2S — CID 21402379

IUPAC1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
SMILESClc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C18H14Cl4N2S/c19-14-3-1-13(16(21)8-14)10-25-18(9-24-6-5-23-11-24)12-2-4-15(20)17(22)7-12/h1-8,11,18H,9-10H2
InChIKeyYHTBLJZDDAJBJS-UHFFFAOYSA-N
MW432.20 g/mol
LogP7.17
Rot. Bonds6

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

1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole (PubChem CID 21402379) has the molecular formula C18H14Cl4N2S and a molecular weight of 432.20 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
PubChem CID21402379
Molecular FormulaC18H14Cl4N2S
Molecular Weight432.20 g/mol
Exact Mass429.96
IUPAC Name1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
SMILESClc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C18H14Cl4N2S/c19-14-3-1-13(16(21)8-14)10-25-18(9-24-6-5-23-11-24)12-2-4-15(20)17(22)7-12/h1-8,11,18H,9-10H2
InChIKeyYHTBLJZDDAJBJS-UHFFFAOYSA-N
XLogP7.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.20
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole
CID 21402194
1-[2-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402393
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole
CID 21415121
1-[(2,4-dichlorophenyl)methylsulfanyl]-3-imidazol-1-ylpropan-1-ol
CID 20572789
1-[2-(3,4-dichlorophenyl)-2-(3,4,5-trichlorophenyl)sulfanylethyl]imidazole
CID 21402409
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-2-(2-propan-2-ylcyclohexyl)ethyl]imidazole
CID 21415400
1-[2-(2,4-dichlorophenyl)-2-prop-2-ynylsulfanylethyl]imidazole
CID 21402168
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole
CID 21402330
1-[1-bromo-2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 70637186
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzenecarbothioate
CID 21422277
1-[3-[(2,4-dichlorophenyl)methylsulfanyl]nonyl]imidazole
CID 21415321

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole (CID 21402379) is 1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole is Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole?
The InChIKey is YHTBLJZDDAJBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl4N2S/c19-14-3-1-13(16(21)8-14)10-25-18(9-24-6-5-23-11-24)12-2-4-15(20)17(22)7-12/h1-8,11,18H,9-10H2.
What are the key properties of 1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole?
1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole has a molecular weight of 432.20 g/mol, XLogP of 7.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole is sourced from PubChem (CID 21402379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).