1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole

C22H25ClN2S — CID 22762829

IUPAC1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
SMILESCc1ccc(CCC(C)(Cn2ccnc2)SCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H25ClN2S/c1-18-3-5-19(6-4-18)11-12-22(2,16-25-14-13-24-17-25)26-15-20-7-9-21(23)10-8-20/h3-10,13-14,17H,11-12,15-16H2,1-2H3
InChIKeyIEPXZNLQWNFASZ-UHFFFAOYSA-N
MW384.98 g/mol
LogP6.17
Rot. Bonds8

About 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole

1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole (PubChem CID 22762829) has the molecular formula C22H25ClN2S and a molecular weight of 384.98 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
PubChem CID22762829
Molecular FormulaC22H25ClN2S
Molecular Weight384.98 g/mol
Exact Mass384.14
IUPAC Name1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole
SMILESCc1ccc(CCC(C)(Cn2ccnc2)SCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H25ClN2S/c1-18-3-5-19(6-4-18)11-12-22(2,16-25-14-13-24-17-25)26-15-20-7-9-21(23)10-8-20/h3-10,13-14,17H,11-12,15-16H2,1-2H3
InChIKeyIEPXZNLQWNFASZ-UHFFFAOYSA-N
XLogP6.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.98
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-bromophenyl)methylsulfanyl]-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22763018
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-[5-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanyl-3-methylpentyl]imidazole
CID 22762943
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
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
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole?
The IUPAC name of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole (CID 22762829) is 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole is Cc1ccc(CCC(C)(Cn2ccnc2)SCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole?
The InChIKey is IEPXZNLQWNFASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2S/c1-18-3-5-19(6-4-18)11-12-22(2,16-25-14-13-24-17-25)26-15-20-7-9-21(23)10-8-20/h3-10,13-14,17H,11-12,15-16H2,1-2H3.
What are the key properties of 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole?
1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole has a molecular weight of 384.98 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methylsulfanyl]-2-methyl-4-(4-methylphenyl)butyl]imidazole is sourced from PubChem (CID 22762829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).