1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole

C18H15Cl3N2S2 — CID 54282523

IUPAC1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
SMILESClc1ccc(SCC(Cn2ccnc2)Sc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H15Cl3N2S2/c19-13-1-3-14(4-2-13)24-11-16(10-23-8-7-22-12-23)25-15-5-6-17(20)18(21)9-15/h1-9,12,16H,10-11H2
InChIKeyRRUBZGAJOGAUPO-UHFFFAOYSA-N
MW429.83 g/mol
LogP6.80
Rot. Bonds7

About 1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole

1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole (PubChem CID 54282523) has the molecular formula C18H15Cl3N2S2 and a molecular weight of 429.83 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
PubChem CID54282523
Molecular FormulaC18H15Cl3N2S2
Molecular Weight429.83 g/mol
Exact Mass427.97
IUPAC Name1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
SMILESClc1ccc(SCC(Cn2ccnc2)Sc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C18H15Cl3N2S2/c19-13-1-3-14(4-2-13)24-11-16(10-23-8-7-22-12-23)25-15-5-6-17(20)18(21)9-15/h1-9,12,16H,10-11H2
InChIKeyRRUBZGAJOGAUPO-UHFFFAOYSA-N
XLogP6.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.83
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dichlorophenyl)sulfanyl-3-propylsulfanylpropyl]imidazole
CID 54038538
1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole
CID 21423702
1-[2-(4-chlorophenyl)sulfanylheptyl]imidazole
CID 21415296
1-[2-[(3,4-dichlorophenyl)methoxy]-3-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
CID 54183538
1-[2-(3,4-dichlorophenyl)-2-(3,4,5-trichlorophenyl)sulfanylethyl]imidazole
CID 21402409
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-(3,4-dichlorophenyl)ethyl]imidazole
CID 21402194
1-[3-(3,4-dichlorophenyl)sulfanylundecyl]imidazole
CID 21415167
1-[2-(4-chlorophenyl)-2-(4-methylphenyl)sulfanylethyl]imidazole
CID 21402207
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-[4-[(4-chlorophenyl)methylsulfanyl]phenyl]ethyl]imidazole
CID 21402330
1-[4-(4-chlorophenyl)-2-(2,3,6-trichlorophenyl)sulfanylbutyl]imidazole
CID 162180732
nitric acid;1-[3-(2,3,4,5,6-pentachlorophenyl)sulfanyl-2-phenylsulfanylpropyl]imidazole
CID 21423712
1-(4-chloro-3-fluorophenyl)-2-imidazol-1-ylethanol
CID 156700970

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole (CID 54282523) is 1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole is Clc1ccc(SCC(Cn2ccnc2)Sc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole?
The InChIKey is RRUBZGAJOGAUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N2S2/c19-13-1-3-14(4-2-13)24-11-16(10-23-8-7-22-12-23)25-15-5-6-17(20)18(21)9-15/h1-9,12,16H,10-11H2.
What are the key properties of 1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole?
1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole has a molecular weight of 429.83 g/mol, XLogP of 6.80, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole is sourced from PubChem (CID 54282523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).