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

C21H22BrClN2S — CID 22763018

IUPAC1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
SMILESCC(CCc1ccc(Cl)cc1)(Cn1ccnc1)SCc1ccc(Br)cc1
InChIInChI=1S/C21H22BrClN2S/c1-21(15-25-13-12-24-16-25,11-10-17-4-8-20(23)9-5-17)26-14-18-2-6-19(22)7-3-18/h2-9,12-13,16H,10-11,14-15H2,1H3
InChIKeyURYLFAAZSSGYJR-UHFFFAOYSA-N
MW449.85 g/mol
LogP6.62
Rot. Bonds8

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

1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole (PubChem CID 22763018) has the molecular formula C21H22BrClN2S and a molecular weight of 449.85 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
PubChem CID22763018
Molecular FormulaC21H22BrClN2S
Molecular Weight449.85 g/mol
Exact Mass448.04
IUPAC Name1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
SMILESCC(CCc1ccc(Cl)cc1)(Cn1ccnc1)SCc1ccc(Br)cc1
InChIInChI=1S/C21H22BrClN2S/c1-21(15-25-13-12-24-16-25,11-10-17-4-8-20(23)9-5-17)26-14-18-2-6-19(22)7-3-18/h2-9,12-13,16H,10-11,14-15H2,1H3
InChIKeyURYLFAAZSSGYJR-UHFFFAOYSA-N
XLogP6.62
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.85
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
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-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
1-[2-(2,4-dibromophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22763057
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
1-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole
CID 22762943
1-[2-(2,4-difluorophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762956
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
1-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762948
1-[2-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)sulfanylhexyl]imidazole
CID 22762814

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole?
The IUPAC name of 1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole (CID 22763018) is 1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole.
What is the SMILES notation for 1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole?
The canonical SMILES for 1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole is CC(CCc1ccc(Cl)cc1)(Cn1ccnc1)SCc1ccc(Br)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole?
The InChIKey is URYLFAAZSSGYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrClN2S/c1-21(15-25-13-12-24-16-25,11-10-17-4-8-20(23)9-5-17)26-14-18-2-6-19(22)7-3-18/h2-9,12-13,16H,10-11,14-15H2,1H3.
What are the key properties of 1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole?
1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole has a molecular weight of 449.85 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole is sourced from PubChem (CID 22763018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).