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Arylaminobenzimidazole, 14

C21H19N5O2 — CID 22040802

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2)n3C)ccn1
InChIInChI=1S/C21H19N5O2/c1-22-20(27)18-13-16(10-11-23-18)28-15-8-9-19-17(12-15)25-21(26(19)2)24-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,27)(H,24,25)
InChIKeyGLRHEOXLLKWUGI-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.86
Rot. Bonds5

About Arylaminobenzimidazole, 14

Arylaminobenzimidazole, 14 (PubChem CID 22040802) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameArylaminobenzimidazole, 14
PubChem CID22040802
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2)n3C)ccn1
InChIInChI=1S/C21H19N5O2/c1-22-20(27)18-13-16(10-11-23-18)28-15-8-9-19-17(12-15)25-21(26(19)2)24-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,27)(H,24,25)
InChIKeyGLRHEOXLLKWUGI-UHFFFAOYSA-N
XLogP3.86
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Arylaminobenzimidazole, 14?
The IUPAC name of Arylaminobenzimidazole, 14 (CID 22040802) is 4-(2-anilino-1-methylbenzimidazol-5-yl)oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for Arylaminobenzimidazole, 14?
The canonical SMILES for Arylaminobenzimidazole, 14 is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccccc2)n3C)ccn1.
What is the InChIKey of Arylaminobenzimidazole, 14?
The InChIKey is GLRHEOXLLKWUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-22-20(27)18-13-16(10-11-23-18)28-15-8-9-19-17(12-15)25-21(26(19)2)24-14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,27)(H,24,25).
What are the key properties of Arylaminobenzimidazole, 14?
Arylaminobenzimidazole, 14 has a molecular weight of 373.42 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Arylaminobenzimidazole, 14 is sourced from PubChem (CID 22040802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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