4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

C26H21ClN6O2 — CID 22041059

IUPAC4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(-c4ccncc4Cl)c2)n3C)ccn1
InChIInChI=1S/C26H21ClN6O2/c1-28-25(34)23-14-19(8-11-30-23)35-18-6-7-24-22(13-18)32-26(33(24)2)31-17-5-3-4-16(12-17)20-9-10-29-15-21(20)27/h3-15H,1-2H3,(H,28,34)(H,31,32)
InChIKeyFROPSPIWMJINMD-UHFFFAOYSA-N
MW484.95 g/mol
LogP5.58
Rot. Bonds6

About 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 22041059) has the molecular formula C26H21ClN6O2 and a molecular weight of 484.95 g/mol. Its IUPAC name is 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID22041059
Molecular FormulaC26H21ClN6O2
Molecular Weight484.95 g/mol
Exact Mass484.14
IUPAC Name4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(-c4ccncc4Cl)c2)n3C)ccn1
InChIInChI=1S/C26H21ClN6O2/c1-28-25(34)23-14-19(8-11-30-23)35-18-6-7-24-22(13-18)32-26(33(24)2)31-17-5-3-4-16(12-17)20-9-10-29-15-21(20)27/h3-15H,1-2H3,(H,28,34)(H,31,32)
InChIKeyFROPSPIWMJINMD-UHFFFAOYSA-N
XLogP5.58
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.95
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

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
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[2-[4-chloro-3-(2-oxopropyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 158016312
4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
CID 159945449
4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041074
N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 158740821
4-[2-[5-(3-fluoro-4-pyridinyl)-2-methoxyanilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 70921729
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
N-(1-methylpiperidin-4-yl)-4-[1-methyl-2-(3-pyridin-4-ylanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 161392104
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041150

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 22041059) is 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(-c4ccncc4Cl)c2)n3C)ccn1.
What is the InChIKey of 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is FROPSPIWMJINMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN6O2/c1-28-25(34)23-14-19(8-11-30-23)35-18-6-7-24-22(13-18)32-26(33(24)2)31-17-5-3-4-16(12-17)20-9-10-29-15-21(20)27/h3-15H,1-2H3,(H,28,34)(H,31,32).
What are the key properties of 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 484.95 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22041059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).