2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole

C18H13Cl2F3N2O3S — CID 54393459

IUPAC2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCOc1c(Cl)cc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)c(C(F)(F)F)[nH]2)cc1Cl
InChIInChI=1S/C18H13Cl2F3N2O3S/c1-28-15-12(19)7-10(8-13(15)20)17-24-14(16(25-17)18(21,22)23)9-3-5-11(6-4-9)29(2,26)27/h3-8H,1-2H3,(H,24,25)
InChIKeyVIGYAUONGDGCMR-UHFFFAOYSA-N
MW465.28 g/mol
LogP5.48
Rot. Bonds4

About 2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole

2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole (PubChem CID 54393459) has the molecular formula C18H13Cl2F3N2O3S and a molecular weight of 465.28 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole
PubChem CID54393459
Molecular FormulaC18H13Cl2F3N2O3S
Molecular Weight465.28 g/mol
Exact Mass464.00
IUPAC Name2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole
SMILESCOc1c(Cl)cc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)c(C(F)(F)F)[nH]2)cc1Cl
InChIInChI=1S/C18H13Cl2F3N2O3S/c1-28-15-12(19)7-10(8-13(15)20)17-24-14(16(25-17)18(21,22)23)9-3-5-11(6-4-9)29(2,26)27/h3-8H,1-2H3,(H,24,25)
InChIKeyVIGYAUONGDGCMR-UHFFFAOYSA-N
XLogP5.48
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.28
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dichloro-2-methoxy-5-[2-(4-methylsulfonylphenyl)phenyl]benzene
CID 23451274
4-(3,4-dichlorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463562
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 142636183
1,2-dichloro-4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]benzene
CID 16754543
4-[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)-1H-imidazol-4-yl]benzenesulfonamide
CID 54029186
2-(3,4-dichlorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62067790
5-(4-chloro-3-methoxyphenyl)-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1,2,4-triazole
CID 10094309
3-(3-chloro-4-methoxyphenyl)-5-methyl-2-(4-methylsulfonylphenyl)-1H-pyrrole
CID 15462485
4-[4-chloro-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-5-yl]benzenesulfonyl chloride
CID 24962678
2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
CID 70265699
4-(3,4-difluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463646
4-(3,4-dimethylphenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 18463676

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole (CID 54393459) is 2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole is COc1c(Cl)cc(-c2nc(-c3ccc(S(C)(=O)=O)cc3)c(C(F)(F)F)[nH]2)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole?
The InChIKey is VIGYAUONGDGCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2F3N2O3S/c1-28-15-12(19)7-10(8-13(15)20)17-24-14(16(25-17)18(21,22)23)9-3-5-11(6-4-9)29(2,26)27/h3-8H,1-2H3,(H,24,25).
What are the key properties of 2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole?
2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole has a molecular weight of 465.28 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 54393459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).