1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole

C20H19Br2FN2S — CID 22763057

IUPAC1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
SMILESCC(CCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccc(Br)cc1Br
InChIInChI=1S/C20H19Br2FN2S/c1-20(13-25-11-10-24-14-25,9-8-15-2-5-17(23)6-3-15)26-19-7-4-16(21)12-18(19)22/h2-7,10-12,14H,8-9,13H2,1H3
InChIKeyQOJCFRSUPKAQFM-UHFFFAOYSA-N
MW498.26 g/mol
LogP6.73
Rot. Bonds7

About 1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole

1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole (PubChem CID 22763057) has the molecular formula C20H19Br2FN2S and a molecular weight of 498.26 g/mol. Its IUPAC name is 1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
PubChem CID22763057
Molecular FormulaC20H19Br2FN2S
Molecular Weight498.26 g/mol
Exact Mass495.96
IUPAC Name1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
SMILESCC(CCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccc(Br)cc1Br
InChIInChI=1S/C20H19Br2FN2S/c1-20(13-25-11-10-24-14-25,9-8-15-2-5-17(23)6-3-15)26-19-7-4-16(21)12-18(19)22/h2-7,10-12,14H,8-9,13H2,1H3
InChIKeyQOJCFRSUPKAQFM-UHFFFAOYSA-N
XLogP6.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.26
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-difluorophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762956
1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762948
1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762834
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-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22763018
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)hexan-3-ol
CID 22762796
1-(4-fluorophenyl)-3-(imidazol-1-ylmethyl)heptan-3-ol
CID 22762885
1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole
CID 22762814
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole
CID 20512684

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
The IUPAC name of 1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole (CID 22763057) is 1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole is CC(CCc1ccc(F)cc1)(Cn1ccnc1)Sc1ccc(Br)cc1Br.
What is the InChIKey of 1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
The InChIKey is QOJCFRSUPKAQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Br2FN2S/c1-20(13-25-11-10-24-14-25,9-8-15-2-5-17(23)6-3-15)26-19-7-4-16(21)12-18(19)22/h2-7,10-12,14H,8-9,13H2,1H3.
What are the key properties of 1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole?
1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole has a molecular weight of 498.26 g/mol, XLogP of 6.73, 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-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole is sourced from PubChem (CID 22763057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).