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

C24H18F3N3O3S — CID 59240243

IUPAC1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(N)=O)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C24H18F3N3O3S/c1-34(32,33)18-6-4-5-16(13-18)15-9-11-17(12-10-15)30-14-21(22(28)31)29-23(30)19-7-2-3-8-20(19)24(25,26)27/h2-14H,1H3,(H2,28,31)
InChIKeyYISRVQGLSWJUAN-UHFFFAOYSA-N
MW485.49 g/mol
LogP4.73
Rot. Bonds5

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

1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 59240243) has the molecular formula C24H18F3N3O3S and a molecular weight of 485.49 g/mol. Its IUPAC name is 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID59240243
Molecular FormulaC24H18F3N3O3S
Molecular Weight485.49 g/mol
Exact Mass485.10
IUPAC Name1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(N)=O)nc3-c3ccccc3C(F)(F)F)cc2)c1
InChIInChI=1S/C24H18F3N3O3S/c1-34(32,33)18-6-4-5-16(13-18)15-9-11-17(12-10-15)30-14-21(22(28)31)29-23(30)19-7-2-3-8-20(19)24(25,26)27/h2-14H,1H3,(H2,28,31)
InChIKeyYISRVQGLSWJUAN-UHFFFAOYSA-N
XLogP4.73
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-1H-imidazol-2-yl]-phenyl-methanone
CID 11058879
3-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]imidazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44372832
US10479795, Example 456
CID 132260771
US11345666, Example 82
CID 146286590
US10479795, Example 452
CID 132260531
[5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-1H-imidazol-2-yl]-phenyl-methanone
CID 11825947
N-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 24720811
US10479795, Example 455
CID 132260506
N-[3-[(2-fluorophenyl)sulfamoyl]-4-methylphenyl]-3-phenylimidazole-4-carboxamide
CID 16317164
N-[3-(methylsulfanyl)propyl]-1-[2'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide
CID 46081577
N-[2-(benzylsulfanyl)ethyl]-1-[2'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]-1H-imidazole-5-carboxamide
CID 46081595
1-[2-methyl-4-(3-methylsulfonylphenyl)phenyl]-2-(2-propan-2-ylphenyl)-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 15947395

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 59240243) is 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide is CS(=O)(=O)c1cccc(-c2ccc(-n3cc(C(N)=O)nc3-c3ccccc3C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is YISRVQGLSWJUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O3S/c1-34(32,33)18-6-4-5-16(13-18)15-9-11-17(12-10-15)30-14-21(22(28)31)29-23(30)19-7-2-3-8-20(19)24(25,26)27/h2-14H,1H3,(H2,28,31).
What are the key properties of 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylsulfonylphenyl)phenyl]-2-[2-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 59240243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).