1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole

C20H20BrClN2S — CID 22763065

IUPAC1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole
SMILESCC(CCc1ccc(Br)cc1)(Cn1ccnc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C20H20BrClN2S/c1-20(14-24-13-12-23-15-24,25-19-8-6-18(22)7-9-19)11-10-16-2-4-17(21)5-3-16/h2-9,12-13,15H,10-11,14H2,1H3
InChIKeyYFOMZZWOURAPIE-UHFFFAOYSA-N
MW435.82 g/mol
LogP6.48
Rot. Bonds7

About 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole

1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole (PubChem CID 22763065) has the molecular formula C20H20BrClN2S and a molecular weight of 435.82 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole
PubChem CID22763065
Molecular FormulaC20H20BrClN2S
Molecular Weight435.82 g/mol
Exact Mass434.02
IUPAC Name1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole
SMILESCC(CCc1ccc(Br)cc1)(Cn1ccnc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C20H20BrClN2S/c1-20(14-24-13-12-23-15-24,25-19-8-6-18(22)7-9-19)11-10-16-2-4-17(21)5-3-16/h2-9,12-13,15H,10-11,14H2,1H3
InChIKeyYFOMZZWOURAPIE-UHFFFAOYSA-N
XLogP6.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.82
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole with MolForge

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Related Compounds

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-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762948
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22763057
1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole
CID 22762814
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-[2-(2,4-difluorophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762956
1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole
CID 22762943
1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762834

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole?
The IUPAC name of 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole (CID 22763065) is 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole.
What is the SMILES notation for 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole?
The canonical SMILES for 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole is CC(CCc1ccc(Br)cc1)(Cn1ccnc1)Sc1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole?
The InChIKey is YFOMZZWOURAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN2S/c1-20(14-24-13-12-23-15-24,25-19-8-6-18(22)7-9-19)11-10-16-2-4-17(21)5-3-16/h2-9,12-13,15H,10-11,14H2,1H3.
What are the key properties of 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole?
1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole has a molecular weight of 435.82 g/mol, XLogP of 6.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-2-(4-chlorophenyl)sulfanyl-2-methylbutyl]imidazole is sourced from PubChem (CID 22763065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).