4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide

C22H13N5O2 — CID 25061865

IUPAC4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C#N)cc4n3O)cc2)cc1
InChIInChI=1S/C22H13N5O2/c23-12-14-1-4-17(5-2-14)22(28)25-18-8-6-16(7-9-18)21-26-19-10-3-15(13-24)11-20(19)27(21)29/h1-11,29H,(H,25,28)
InChIKeyQZYFCWQLZMOBPC-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.94
Rot. Bonds3

About 4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide

4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide (PubChem CID 25061865) has the molecular formula C22H13N5O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide
PubChem CID25061865
Molecular FormulaC22H13N5O2
Molecular Weight379.38 g/mol
Exact Mass379.11
IUPAC Name4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C#N)cc4n3O)cc2)cc1
InChIInChI=1S/C22H13N5O2/c23-12-14-1-4-17(5-2-14)22(28)25-18-8-6-16(7-9-18)21-26-19-10-3-15(13-24)11-20(19)27(21)29/h1-11,29H,(H,25,28)
InChIKeyQZYFCWQLZMOBPC-UHFFFAOYSA-N
XLogP3.94
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide (CID 25061865) is 4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide is N#Cc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C#N)cc4n3O)cc2)cc1.
What is the InChIKey of 4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide?
The InChIKey is QZYFCWQLZMOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N5O2/c23-12-14-1-4-17(5-2-14)22(28)25-18-8-6-16(7-9-18)21-26-19-10-3-15(13-24)11-20(19)27(21)29/h1-11,29H,(H,25,28).
What are the key properties of 4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide?
4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide has a molecular weight of 379.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[4-(6-cyano-1-hydroxybenzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 25061865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).