2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide

C23H19F3N4O3S — CID 25165474

IUPAC2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H19F3N4O3S/c1-34(32,33)17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)
InChIKeyPKOKKGWFSDPGGQ-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.35
Rot. Bonds6

About 2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide

2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 25165474) has the molecular formula C23H19F3N4O3S and a molecular weight of 488.49 g/mol. Its IUPAC name is 2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID25165474
Molecular FormulaC23H19F3N4O3S
Molecular Weight488.49 g/mol
Exact Mass488.11
IUPAC Name2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESCS(=O)(=O)c1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H19F3N4O3S/c1-34(32,33)17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)
InChIKeyPKOKKGWFSDPGGQ-UHFFFAOYSA-N
XLogP4.35
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-sulfamoylphenylamino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 25164661
2-((4-(Methylthio)phenyl)amino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide
CID 45267853
N-[4-[[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]-methylsulfamoyl]phenyl]acetamide
CID 16328331
1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10114123
1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-(4-fluorobenzamido)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
CID 10151801
N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10194689
1-(3-amino-3-oxopropyl)-N-cyclohexyl-2-(3-fluorobenzamido)-N-methyl-1H-benzo[d]imidazole-5-carboxamide
CID 10195393
1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10195646
1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10288395
1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10310783
4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide
CID 10547195
N-((2E)-6-((1,1-Dioxido-4-thiomorpholinyl)methyl)-1-(cis-4-((1-methylethyl)carbamoyl)cyclohexyl)-1,3-dihydro-2H-benzimidazol-2-ylidene)-4-fluorobenzamide
CID 56655161

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide (CID 25165474) is 2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide is CS(=O)(=O)c1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is PKOKKGWFSDPGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O3S/c1-34(32,33)17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29).
What are the key properties of 2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylanilino)-1-[[2-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 25165474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).