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

C28H31N5O2 — CID 22041074

IUPAC4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C4CCCCCC4)c2)n3C)ccn1
InChIInChI=1S/C28H31N5O2/c1-29-27(34)25-18-23(14-15-30-25)35-22-12-13-26-24(17-22)32-28(33(26)2)31-21-11-7-10-20(16-21)19-8-5-3-4-6-9-19/h7,10-19H,3-6,8-9H2,1-2H3,(H,29,34)(H,31,32)
InChIKeyOOGBXHDJRCXFGS-UHFFFAOYSA-N
MW469.59 g/mol
LogP6.30
Rot. Bonds6

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

4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 22041074) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID22041074
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C4CCCCCC4)c2)n3C)ccn1
InChIInChI=1S/C28H31N5O2/c1-29-27(34)25-18-23(14-15-30-25)35-22-12-13-26-24(17-22)32-28(33(26)2)31-21-11-7-10-20(16-21)19-8-5-3-4-6-9-19/h7,10-19H,3-6,8-9H2,1-2H3,(H,29,34)(H,31,32)
InChIKeyOOGBXHDJRCXFGS-UHFFFAOYSA-N
XLogP6.30
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
4-[2-(cycloheptylmethylamino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041264
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-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 158740821
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471
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-(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
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide (CID 22041074) is 4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(C4CCCCCC4)c2)n3C)ccn1.
What is the InChIKey of 4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is OOGBXHDJRCXFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-29-27(34)25-18-23(14-15-30-25)35-22-12-13-26-24(17-22)32-28(33(26)2)31-21-11-7-10-20(16-21)19-8-5-3-4-6-9-19/h7,10-19H,3-6,8-9H2,1-2H3,(H,29,34)(H,31,32).
What are the key properties of 4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 6.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-cycloheptylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 22041074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).