1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole

C16H20Cl2N2S — CID 20512684

IUPAC1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole
SMILESCCCCC(C)(Cn1ccnc1)Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2S/c1-3-4-7-16(2,11-20-9-8-19-12-20)21-15-6-5-13(17)10-14(15)18/h5-6,8-10,12H,3-4,7,11H2,1-2H3
InChIKeyGLPCNGCHWPPNKW-UHFFFAOYSA-N
MW343.32 g/mol
LogP5.93
Rot. Bonds7

About 1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole

1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole (PubChem CID 20512684) has the molecular formula C16H20Cl2N2S and a molecular weight of 343.32 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole
PubChem CID20512684
Molecular FormulaC16H20Cl2N2S
Molecular Weight343.32 g/mol
Exact Mass342.07
IUPAC Name1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole
SMILESCCCCC(C)(Cn1ccnc1)Sc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N2S/c1-3-4-7-16(2,11-20-9-8-19-12-20)21-15-6-5-13(17)10-14(15)18/h5-6,8-10,12H,3-4,7,11H2,1-2H3
InChIKeyGLPCNGCHWPPNKW-UHFFFAOYSA-N
XLogP5.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.32
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-2-(2,4-dichlorophenyl)hexyl]imidazole
CID 19759744
1-[3-(2,4-dichlorophenyl)sulfanyloctyl]imidazole
CID 21415098
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
(2S)-1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;hydrochloride
CID 70472519
1-[3-(2,4-dichlorophenyl)-3-pentylsulfanylpropyl]imidazole
CID 21415372
1-[2-(2,4-difluorophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762956
1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole
CID 22762814
1-[3-(2,4-dichlorophenyl)-3-octylsulfanylpropyl]imidazole
CID 21415180
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole
CID 21415121
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
1-[3-[(2,4-dichlorophenyl)methylsulfanyl]nonyl]imidazole
CID 21415321
1-[2-(3,4-dichlorophenyl)sulfanyl-2-hexoxypropyl]imidazole
CID 54487448

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole (CID 20512684) is 1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole is CCCCC(C)(Cn1ccnc1)Sc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole?
The InChIKey is GLPCNGCHWPPNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2S/c1-3-4-7-16(2,11-20-9-8-19-12-20)21-15-6-5-13(17)10-14(15)18/h5-6,8-10,12H,3-4,7,11H2,1-2H3.
What are the key properties of 1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole?
1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole has a molecular weight of 343.32 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole is sourced from PubChem (CID 20512684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).