2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole

C23H16ClF3N2O2S — CID 59251295

IUPAC2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-6-4-5-16(13-18)15-9-11-17(12-10-15)29-14-21(23(25,26)27)28-22(29)19-7-2-3-8-20(19)24/h2-14H,1H3
InChIKeyIWVRHURFJVBGSF-UHFFFAOYSA-N
MW476.91 g/mol
LogP6.28
Rot. Bonds4

About 2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole

2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole (PubChem CID 59251295) has the molecular formula C23H16ClF3N2O2S and a molecular weight of 476.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole
PubChem CID59251295
Molecular FormulaC23H16ClF3N2O2S
Molecular Weight476.91 g/mol
Exact Mass476.06
IUPAC Name2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3Cl)cc2)c1
InChIInChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-6-4-5-16(13-18)15-9-11-17(12-10-15)29-14-21(23(25,26)27)28-22(29)19-7-2-3-8-20(19)24/h2-14H,1H3
InChIKeyIWVRHURFJVBGSF-UHFFFAOYSA-N
XLogP6.28
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.91
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole (CID 59251295) is 2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(F)(F)F)nc3-c3ccccc3Cl)cc2)c1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole?
The InChIKey is IWVRHURFJVBGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N2O2S/c1-32(30,31)18-6-4-5-16(13-18)15-9-11-17(12-10-15)29-14-21(23(25,26)27)28-22(29)19-7-2-3-8-20(19)24/h2-14H,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole?
2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole has a molecular weight of 476.91 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(3-methylsulfonylphenyl)phenyl]-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 59251295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).