4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole

C17H9Cl2F5N2O2S — CID 22746599

IUPAC4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1c(F)cc(-c2[nH]c(C(F)(F)F)nc2-c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C17H9Cl2F5N2O2S/c1-29(27,28)15-11(20)4-8(5-12(15)21)14-13(25-16(26-14)17(22,23)24)7-2-9(18)6-10(19)3-7/h2-6H,1H3,(H,25,26)
InChIKeyDLNAQGJYYNIJPU-UHFFFAOYSA-N
MW471.23 g/mol
LogP5.75
Rot. Bonds3

About 4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole

4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 22746599) has the molecular formula C17H9Cl2F5N2O2S and a molecular weight of 471.23 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID22746599
Molecular FormulaC17H9Cl2F5N2O2S
Molecular Weight471.23 g/mol
Exact Mass469.97
IUPAC Name4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1c(F)cc(-c2[nH]c(C(F)(F)F)nc2-c2cc(Cl)cc(Cl)c2)cc1F
InChIInChI=1S/C17H9Cl2F5N2O2S/c1-29(27,28)15-11(20)4-8(5-12(15)21)14-13(25-16(26-14)17(22,23)24)7-2-9(18)6-10(19)3-7/h2-6H,1H3,(H,25,26)
InChIKeyDLNAQGJYYNIJPU-UHFFFAOYSA-N
XLogP5.75
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.23
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 22746599) is 4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is CS(=O)(=O)c1c(F)cc(-c2[nH]c(C(F)(F)F)nc2-c2cc(Cl)cc(Cl)c2)cc1F.
What is the InChIKey of 4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is DLNAQGJYYNIJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F5N2O2S/c1-29(27,28)15-11(20)4-8(5-12(15)21)14-13(25-16(26-14)17(22,23)24)7-2-9(18)6-10(19)3-7/h2-6H,1H3,(H,25,26).
What are the key properties of 4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 471.23 g/mol, XLogP of 5.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-5-(3,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 22746599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).