1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole

C18H14Cl4N2S2 — CID 21423702

IUPAC1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole
SMILESClc1ccc(SCC(Cn2ccnc2)Sc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl4N2S2/c19-12-1-3-17(15(21)7-12)25-10-14(9-24-6-5-23-11-24)26-18-4-2-13(20)8-16(18)22/h1-8,11,14H,9-10H2
InChIKeyBXIXRAVATIKDDG-UHFFFAOYSA-N
MW464.27 g/mol
LogP7.45
Rot. Bonds7

About 1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole

1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole (PubChem CID 21423702) has the molecular formula C18H14Cl4N2S2 and a molecular weight of 464.27 g/mol. Its IUPAC name is 1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole.

Molecular Properties

Compound Name1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole
PubChem CID21423702
Molecular FormulaC18H14Cl4N2S2
Molecular Weight464.27 g/mol
Exact Mass461.94
IUPAC Name1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole
SMILESClc1ccc(SCC(Cn2ccnc2)Sc2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl4N2S2/c19-12-1-3-17(15(21)7-12)25-10-14(9-24-6-5-23-11-24)26-18-4-2-13(20)8-16(18)22/h1-8,11,14H,9-10H2
InChIKeyBXIXRAVATIKDDG-UHFFFAOYSA-N
XLogP7.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.27
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chlorophenyl)sulfanyl-2-(3,4-dichlorophenyl)sulfanylpropyl]imidazole
CID 54282523
1-[3-(2,4-dichlorophenyl)sulfanyloctyl]imidazole
CID 21415098
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402379
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole
CID 21415121
1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
1-[2-(3,4-dichlorophenyl)sulfanyl-3-propylsulfanylpropyl]imidazole
CID 54038538
1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole
CID 154207042
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzenecarbothioate
CID 21422277
1-[2-(2,4-dichlorophenyl)-2-prop-2-ynylsulfanylethyl]imidazole
CID 21402168
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 170562609

Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole?
The IUPAC name of 1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole (CID 21423702) is 1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole.
What is the SMILES notation for 1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole?
The canonical SMILES for 1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole is Clc1ccc(SCC(Cn2ccnc2)Sc2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of 1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole?
The InChIKey is BXIXRAVATIKDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl4N2S2/c19-12-1-3-17(15(21)7-12)25-10-14(9-24-6-5-23-11-24)26-18-4-2-13(20)8-16(18)22/h1-8,11,14H,9-10H2.
What are the key properties of 1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole?
1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole has a molecular weight of 464.27 g/mol, XLogP of 7.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis[(2,4-dichlorophenyl)sulfanyl]propyl]imidazole is sourced from PubChem (CID 21423702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).