1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole

C20H19Cl3N2S — CID 22762805

IUPAC1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
SMILESCC(CCc1ccc(Cl)cc1)(Cn1ccnc1)Sc1cccc(Cl)c1Cl
InChIInChI=1S/C20H19Cl3N2S/c1-20(13-25-12-11-24-14-25,10-9-15-5-7-16(21)8-6-15)26-18-4-2-3-17(22)19(18)23/h2-8,11-12,14H,9-10,13H2,1H3
InChIKeyLCVCDHINPCMIKV-UHFFFAOYSA-N
MW425.81 g/mol
LogP7.03
Rot. Bonds7

About 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole

1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole (PubChem CID 22762805) has the molecular formula C20H19Cl3N2S and a molecular weight of 425.81 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
PubChem CID22762805
Molecular FormulaC20H19Cl3N2S
Molecular Weight425.81 g/mol
Exact Mass424.03
IUPAC Name1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
SMILESCC(CCc1ccc(Cl)cc1)(Cn1ccnc1)Sc1cccc(Cl)c1Cl
InChIInChI=1S/C20H19Cl3N2S/c1-20(13-25-12-11-24-14-25,10-9-15-5-7-16(21)8-6-15)26-18-4-2-3-17(22)19(18)23/h2-8,11-12,14H,9-10,13H2,1H3
InChIKeyLCVCDHINPCMIKV-UHFFFAOYSA-N
XLogP7.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.81
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-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-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole
CID 22762943
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-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
CID 22762829
1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22763018
1-[2-(2,4-difluorophenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762956
1-[2-(2-ethoxyphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762834
1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole
CID 20512684
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
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-[2-(4-tert-butylphenyl)sulfanyl-4-(4-fluorophenyl)-2-methylbutyl]imidazole
CID 22762948

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole (CID 22762805) is 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole is CC(CCc1ccc(Cl)cc1)(Cn1ccnc1)Sc1cccc(Cl)c1Cl.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole?
The InChIKey is LCVCDHINPCMIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N2S/c1-20(13-25-12-11-24-14-25,10-9-15-5-7-16(21)8-6-15)26-18-4-2-3-17(22)19(18)23/h2-8,11-12,14H,9-10,13H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole?
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole has a molecular weight of 425.81 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole is sourced from PubChem (CID 22762805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).