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

C18H12ClF5N2O3S — CID 22745813

IUPAC4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCOc1cc(-c2nc(C(F)(F)F)[nH]c2-c2cc(F)c(S(C)(=O)=O)cc2F)ccc1Cl
InChIInChI=1S/C18H12ClF5N2O3S/c1-29-13-5-8(3-4-10(13)19)15-16(26-17(25-15)18(22,23)24)9-6-12(21)14(7-11(9)20)30(2,27)28/h3-7H,1-2H3,(H,25,26)
InChIKeyFRQRZNUTSXVRQK-UHFFFAOYSA-N
MW466.82 g/mol
LogP5.11
Rot. Bonds4

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

4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (PubChem CID 22745813) has the molecular formula C18H12ClF5N2O3S and a molecular weight of 466.82 g/mol. Its IUPAC name is 4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.

Molecular Properties

Compound Name4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
PubChem CID22745813
Molecular FormulaC18H12ClF5N2O3S
Molecular Weight466.82 g/mol
Exact Mass466.02
IUPAC Name4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole
SMILESCOc1cc(-c2nc(C(F)(F)F)[nH]c2-c2cc(F)c(S(C)(=O)=O)cc2F)ccc1Cl
InChIInChI=1S/C18H12ClF5N2O3S/c1-29-13-5-8(3-4-10(13)19)15-16(26-17(25-15)18(22,23)24)9-6-12(21)14(7-11(9)20)30(2,27)28/h3-7H,1-2H3,(H,25,26)
InChIKeyFRQRZNUTSXVRQK-UHFFFAOYSA-N
XLogP5.11
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.82
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The IUPAC name of 4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole (CID 22745813) is 4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole.
What is the SMILES notation for 4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The canonical SMILES for 4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is COc1cc(-c2nc(C(F)(F)F)[nH]c2-c2cc(F)c(S(C)(=O)=O)cc2F)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
The InChIKey is FRQRZNUTSXVRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF5N2O3S/c1-29-13-5-8(3-4-10(13)19)15-16(26-17(25-15)18(22,23)24)9-6-12(21)14(7-11(9)20)30(2,27)28/h3-7H,1-2H3,(H,25,26).
What are the key properties of 4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole?
4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole has a molecular weight of 466.82 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methoxyphenyl)-5-(2,5-difluoro-4-methylsulfonylphenyl)-2-(trifluoromethyl)-1H-imidazole is sourced from PubChem (CID 22745813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).