4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen

C25H22ClN5O2S — CID 159945449

IUPAC4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)c(-c4cccs4)c2)n3C)ccn1.[H][H]
InChIInChI=1S/C25H20ClN5O2S.H2/c1-27-24(32)21-14-17(9-10-28-21)33-16-6-8-22-20(13-16)30-25(31(22)2)29-15-5-7-19(26)18(12-15)23-4-3-11-34-23;/h3-14H,1-2H3,(H,27,32)(H,29,30);1H
InChIKeyOBKPQIZWTUELTJ-UHFFFAOYSA-N
MW492.00 g/mol
LogP6.49
Rot. Bonds6

About 4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen

4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen (PubChem CID 159945449) has the molecular formula C25H22ClN5O2S and a molecular weight of 492.00 g/mol. Its IUPAC name is 4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
PubChem CID159945449
Molecular FormulaC25H22ClN5O2S
Molecular Weight492.00 g/mol
Exact Mass491.12
IUPAC Name4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)c(-c4cccs4)c2)n3C)ccn1.[H][H]
InChIInChI=1S/C25H20ClN5O2S.H2/c1-27-24(32)21-14-17(9-10-28-21)33-16-6-8-22-20(13-16)30-25(31(22)2)29-15-5-7-19(26)18(12-15)23-4-3-11-34-23;/h3-14H,1-2H3,(H,27,32)(H,29,30);1H
InChIKeyOBKPQIZWTUELTJ-UHFFFAOYSA-N
XLogP6.49
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.00
LogP ≤ 56.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-[4-chloro-3-(2-oxopropyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 158016312
4-[1-methyl-2-(4-methyl-3-thiophen-2-ylanilino)benzimidazol-5-yl]oxy-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide;molecular hydrogen
CID 159034213
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
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-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041150
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
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-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 158740821
N-methyl-4-[1-methyl-2-[4-(4-nitrophenoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040422
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-thiophen-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 70921758

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of 4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen (CID 159945449) is 4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(Cl)c(-c4cccs4)c2)n3C)ccn1.[H][H].
What is the InChIKey of 4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen?
The InChIKey is OBKPQIZWTUELTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O2S.H2/c1-27-24(32)21-14-17(9-10-28-21)33-16-6-8-22-20(13-16)30-25(31(22)2)29-15-5-7-19(26)18(12-15)23-4-3-11-34-23;/h3-14H,1-2H3,(H,27,32)(H,29,30);1H.
What are the key properties of 4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen?
4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen has a molecular weight of 492.00 g/mol, XLogP of 6.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159945449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).