1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole

C23H26ClFN2S — CID 22762814

IUPAC1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole
SMILESCCCCC(CCc1ccc(Cl)cc1)(Cn1ccnc1)Sc1ccc(F)cc1
InChIInChI=1S/C23H26ClFN2S/c1-2-3-13-23(17-27-16-15-26-18-27,28-22-10-8-21(25)9-11-22)14-12-19-4-6-20(24)7-5-19/h4-11,15-16,18H,2-3,12-14,17H2,1H3
InChIKeyNZPMOLKYUKVAGE-UHFFFAOYSA-N
MW416.99 g/mol
LogP7.03
Rot. Bonds10

About 1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole

1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole (PubChem CID 22762814) has the molecular formula C23H26ClFN2S and a molecular weight of 416.99 g/mol. Its IUPAC name is 1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole
PubChem CID22762814
Molecular FormulaC23H26ClFN2S
Molecular Weight416.99 g/mol
Exact Mass416.15
IUPAC Name1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole
SMILESCCCCC(CCc1ccc(Cl)cc1)(Cn1ccnc1)Sc1ccc(F)cc1
InChIInChI=1S/C23H26ClFN2S/c1-2-3-13-23(17-27-16-15-26-18-27,28-22-10-8-21(25)9-11-22)14-12-19-4-6-20(24)7-5-19/h4-11,15-16,18H,2-3,12-14,17H2,1H3
InChIKeyNZPMOLKYUKVAGE-UHFFFAOYSA-N
XLogP7.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.99
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
CID 22762885
1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762948
1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22763065
1-[2-(4-bromophenyl)sulfanyl-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22762995
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
1-[2-(2,4-difluorophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762956
1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole
CID 20512684
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762834
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole?
The IUPAC name of 1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole (CID 22762814) is 1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole.
What is the SMILES notation for 1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole?
The canonical SMILES for 1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole is CCCCC(CCc1ccc(Cl)cc1)(Cn1ccnc1)Sc1ccc(F)cc1.
What is the InChIKey of 1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole?
The InChIKey is NZPMOLKYUKVAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2S/c1-2-3-13-23(17-27-16-15-26-18-27,28-22-10-8-21(25)9-11-22)14-12-19-4-6-20(24)7-5-19/h4-11,15-16,18H,2-3,12-14,17H2,1H3.
What are the key properties of 1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole?
1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole has a molecular weight of 416.99 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole is sourced from PubChem (CID 22762814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).