4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole

C17H12ClF3N2O2S — CID 10453646

IUPAC4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H12ClF3N2O2S/c1-26(24,25)13-7-5-10(6-8-13)14-15(11-3-2-4-12(18)9-11)23-16(22-14)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyLNFADQPVICPKTH-UHFFFAOYSA-N
MW400.81 g/mol
LogP4.82
Rot. Bonds3

About 4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole

4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 10453646) has the molecular formula C17H12ClF3N2O2S and a molecular weight of 400.81 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID10453646
Molecular FormulaC17H12ClF3N2O2S
Molecular Weight400.81 g/mol
Exact Mass400.03
IUPAC Name4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H12ClF3N2O2S/c1-26(24,25)13-7-5-10(6-8-13)14-15(11-3-2-4-12(18)9-11)23-16(22-14)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyLNFADQPVICPKTH-UHFFFAOYSA-N
XLogP4.82
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.81
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 10453646) is 4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is LNFADQPVICPKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O2S/c1-26(24,25)13-7-5-10(6-8-13)14-15(11-3-2-4-12(18)9-11)23-16(22-14)17(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of 4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 400.81 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 10453646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).