1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole

C24H17Cl2F3N2O3S — CID 59240491

IUPAC1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(OCc3nc(C(F)(F)F)cn3-c3c(Cl)cccc3Cl)cc2)c1
InChIInChI=1S/C24H17Cl2F3N2O3S/c1-35(32,33)18-5-2-4-16(12-18)15-8-10-17(11-9-15)34-14-22-30-21(24(27,28)29)13-31(22)23-19(25)6-3-7-20(23)26/h2-13H,14H2,1H3
InChIKeySHFAWEMETLSWOZ-UHFFFAOYSA-N
MW541.38 g/mol
LogP6.85
Rot. Bonds6

About 1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole

1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole (PubChem CID 59240491) has the molecular formula C24H17Cl2F3N2O3S and a molecular weight of 541.38 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole
PubChem CID59240491
Molecular FormulaC24H17Cl2F3N2O3S
Molecular Weight541.38 g/mol
Exact Mass540.03
IUPAC Name1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(OCc3nc(C(F)(F)F)cn3-c3c(Cl)cccc3Cl)cc2)c1
InChIInChI=1S/C24H17Cl2F3N2O3S/c1-35(32,33)18-5-2-4-16(12-18)15-8-10-17(11-9-15)34-14-22-30-21(24(27,28)29)13-31(22)23-19(25)6-3-7-20(23)26/h2-13H,14H2,1H3
InChIKeySHFAWEMETLSWOZ-UHFFFAOYSA-N
XLogP6.85
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.38
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(2-chlorophenyl)ethyl]-1-[4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251361
1-(6-chlorocyclohexa-1,3-dien-1-yl)-5-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
CID 89267791
5-[[4-(3-chlorophenyl)phenoxy]methyl]-1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
CID 59240446
5-(4-methoxyphenyl)-1-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole
CID 90447108
1-(2,6-dichlorophenyl)-5-[[4-(4-ethoxyphenyl)phenoxy]methyl]-3-(trifluoromethyl)pyrazole
CID 59240292
2-[1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-[(2,3-dichlorophenyl)methyl]imidazol-4-yl]propan-2-ol
CID 59251562
2-[1-(2,6-dichlorophenyl)-2-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251279
5-[(4-chlorophenyl)methyl]-1-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]triazole
CID 90446963
2-methyl-4-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]-1,3-oxazole
CID 90447074
1-[5-(3-methylsulfonylphenyl)-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-5-[4-(trifluoromethyl)phenyl]triazole
CID 122616833
[4-[4-[[1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]phenyl]methyl-trimethylazanium
CID 87361665
2-(2,3-dichlorophenyl)-4-iodo-1-[4-(3-methylsulfonylphenyl)phenyl]imidazole
CID 59240328

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole (CID 59240491) is 1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole is CS(=O)(=O)c1cccc(-c2ccc(OCc3nc(C(F)(F)F)cn3-c3c(Cl)cccc3Cl)cc2)c1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole?
The InChIKey is SHFAWEMETLSWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N2O3S/c1-35(32,33)18-5-2-4-16(12-18)15-8-10-17(11-9-15)34-14-22-30-21(24(27,28)29)13-31(22)23-19(25)6-3-7-20(23)26/h2-13H,14H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole?
1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole has a molecular weight of 541.38 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-[[4-(3-methylsulfonylphenyl)phenoxy]methyl]-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 59240491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).