2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole

C24H20F2N2O2S — CID 141164408

IUPAC2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-n3ccnc3-c3c(F)cccc3F)c(C)c2)c1
InChIInChI=1S/C24H20F2N2O2S/c1-3-31(29,30)19-7-4-6-17(15-19)18-10-11-22(16(2)14-18)28-13-12-27-24(28)23-20(25)8-5-9-21(23)26/h4-15H,3H2,1-2H3
InChIKeySMVUDUACJSSWFQ-UHFFFAOYSA-N
MW438.50 g/mol
LogP5.59
Rot. Bonds5

About 2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole

2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole (PubChem CID 141164408) has the molecular formula C24H20F2N2O2S and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole
PubChem CID141164408
Molecular FormulaC24H20F2N2O2S
Molecular Weight438.50 g/mol
Exact Mass438.12
IUPAC Name2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole
SMILESCCS(=O)(=O)c1cccc(-c2ccc(-n3ccnc3-c3c(F)cccc3F)c(C)c2)c1
InChIInChI=1S/C24H20F2N2O2S/c1-3-31(29,30)19-7-4-6-17(15-19)18-10-11-22(16(2)14-18)28-13-12-27-24(28)23-20(25)8-5-9-21(23)26/h4-15H,3H2,1-2H3
InChIKeySMVUDUACJSSWFQ-UHFFFAOYSA-N
XLogP5.59
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.50
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-1-(2-propan-2-ylphenyl)imidazole
CID 141164467
2-(2-chloro-6-methylphenyl)-1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]imidazole
CID 141164353
2-[1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]-2-(2-propan-2-ylphenyl)imidazol-4-yl]propan-2-ol
CID 59251338
2-[2-[(2,3-dichlorophenyl)methyl]-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazol-4-yl]propan-2-ol
CID 59251326
2-[2-(2-chloro-6-fluorophenyl)-1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251471
1-[2-chloro-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)imidazole
CID 141164393
2-(2,4-difluorophenyl)-4-(3-ethylsulfonylphenyl)-6-fluorophthalazin-1-one
CID 155346396
2-(2,6-dimethoxyphenyl)-1-(5-fluoro-2-methylphenyl)imidazole
CID 56745803
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-ethylsulfonylphenyl)acetamide
CID 86972032
ethane;4-[[4-(3-ethylsulfonylphenyl)-2-methylphenoxy]methyl]-1-methylpiperidine
CID 143656895
2-[1-(2,6-dichlorophenyl)-2-[4-(3-ethylsulfonylphenyl)phenyl]imidazol-4-yl]propan-2-ol
CID 59251279
ethyl 4-acetyl-7-(3-ethylsulfonylphenyl)-3-methyl-2,3-dihydroquinoxaline-1-carboxylate
CID 123514612

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole?
The IUPAC name of 2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole (CID 141164408) is 2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole is CCS(=O)(=O)c1cccc(-c2ccc(-n3ccnc3-c3c(F)cccc3F)c(C)c2)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole?
The InChIKey is SMVUDUACJSSWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O2S/c1-3-31(29,30)19-7-4-6-17(15-19)18-10-11-22(16(2)14-18)28-13-12-27-24(28)23-20(25)8-5-9-21(23)26/h4-15H,3H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole?
2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole has a molecular weight of 438.50 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-[4-(3-ethylsulfonylphenyl)-2-methylphenyl]imidazole is sourced from PubChem (CID 141164408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).