1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole

C20H28F2N2S — CID 21402241

IUPAC1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole
SMILESCCCCCCCCCSC(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C20H28F2N2S/c1-2-3-4-5-6-7-8-13-25-20(15-24-12-11-23-16-24)18-10-9-17(21)14-19(18)22/h9-12,14,16,20H,2-8,13,15H2,1H3
InChIKeyMOGWEQSOCZDSCB-UHFFFAOYSA-N
MW366.52 g/mol
LogP6.39
Rot. Bonds12

About 1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole

1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole (PubChem CID 21402241) has the molecular formula C20H28F2N2S and a molecular weight of 366.52 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole
PubChem CID21402241
Molecular FormulaC20H28F2N2S
Molecular Weight366.52 g/mol
Exact Mass366.19
IUPAC Name1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole
SMILESCCCCCCCCCSC(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C20H28F2N2S/c1-2-3-4-5-6-7-8-13-25-20(15-24-12-11-23-16-24)18-10-9-17(21)14-19(18)22/h9-12,14,16,20H,2-8,13,15H2,1H3
InChIKeyMOGWEQSOCZDSCB-UHFFFAOYSA-N
XLogP6.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.52
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-heptylsulfanyl-2-phenylethyl)imidazole
CID 21402516
1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
CID 21402230
1-[2-(4-ethoxyphenyl)-2-heptylsulfanylethyl]imidazole
CID 21402322
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
1-[3-(2,4-dichlorophenyl)-3-octylsulfanylpropyl]imidazole
CID 21415180
1-[3-(2,4-dimethylphenyl)-3-heptylsulfanylpropyl]imidazole
CID 21415290
1-[3-(2,4-dichlorophenyl)-3-pentylsulfanylpropyl]imidazole
CID 21415372
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl]sulfanyl-hexylsulfanylmethanone
CID 21421010
1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole
CID 164615928
1-[3-(3,4-dichlorophenyl)-3-octylsulfanylpropyl]imidazole
CID 21415170
S-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] octanethioate;oxalic acid
CID 90672791
1-[(E)-2-heptylsulfanyl-4-phenylbut-3-enyl]imidazole
CID 21415391

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole?
The IUPAC name of 1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole (CID 21402241) is 1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole is CCCCCCCCCSC(Cn1ccnc1)c1ccc(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole?
The InChIKey is MOGWEQSOCZDSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2S/c1-2-3-4-5-6-7-8-13-25-20(15-24-12-11-23-16-24)18-10-9-17(21)14-19(18)22/h9-12,14,16,20H,2-8,13,15H2,1H3.
What are the key properties of 1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole?
1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole has a molecular weight of 366.52 g/mol, XLogP of 6.39, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole is sourced from PubChem (CID 21402241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).