N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen

C22H22F3N5O2S — CID 158740821

IUPACN-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(SC(F)(F)F)c2)n3C)ccn1.[H][H].[H][H]
InChIInChI=1S/C22H18F3N5O2S.2H2/c1-26-20(31)18-12-15(8-9-27-18)32-14-6-7-19-17(11-14)29-21(30(19)2)28-13-4-3-5-16(10-13)33-22(23,24)25;;/h3-12H,1-2H3,(H,26,31)(H,28,29);2*1H
InChIKeyIMGRNUMPTOQKFY-UHFFFAOYSA-N
MW477.51 g/mol
LogP5.97
Rot. Bonds6

About N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen

N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen (PubChem CID 158740821) has the molecular formula C22H22F3N5O2S and a molecular weight of 477.51 g/mol. Its IUPAC name is N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
PubChem CID158740821
Molecular FormulaC22H22F3N5O2S
Molecular Weight477.51 g/mol
Exact Mass477.14
IUPAC NameN-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(SC(F)(F)F)c2)n3C)ccn1.[H][H].[H][H]
InChIInChI=1S/C22H18F3N5O2S.2H2/c1-26-20(31)18-12-15(8-9-27-18)32-14-6-7-19-17(11-14)29-21(30(19)2)28-13-4-3-5-16(10-13)33-22(23,24)25;;/h3-12H,1-2H3,(H,26,31)(H,28,29);2*1H
InChIKeyIMGRNUMPTOQKFY-UHFFFAOYSA-N
XLogP5.97
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.51
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[2-[3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040449
N-methyl-4-[1-methyl-2-(3-phenylmethoxyanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040628
4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041074
4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 159824014
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041059
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471
N-methyl-4-[1-methyl-2-[4-(4-nitrophenoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040422
4-[2-[4-chloro-3-(2-oxopropyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 158016312
N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 162216166

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen (CID 158740821) is N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(SC(F)(F)F)c2)n3C)ccn1.[H][H].[H][H].
What is the InChIKey of N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The InChIKey is IMGRNUMPTOQKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S.2H2/c1-26-20(31)18-12-15(8-9-27-18)32-14-6-7-19-17(11-14)29-21(30(19)2)28-13-4-3-5-16(10-13)33-22(23,24)25;;/h3-12H,1-2H3,(H,26,31)(H,28,29);2*1H.
What are the key properties of N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen has a molecular weight of 477.51 g/mol, XLogP of 5.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158740821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).