N-(1H-benzimidazol-2-yl)-4-cyanobenzamide

C15H10N4O — CID 2094734

IUPACN-(1H-benzimidazol-2-yl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H10N4O/c16-9-10-5-7-11(8-6-10)14(20)19-15-17-12-3-1-2-4-13(12)18-15/h1-8H,(H2,17,18,19,20)
InChIKeyFHVGTWAOXKHPRB-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.69
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-4-cyanobenzamide

N-(1H-benzimidazol-2-yl)-4-cyanobenzamide (PubChem CID 2094734) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-cyanobenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-cyanobenzamide
PubChem CID2094734
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC NameN-(1H-benzimidazol-2-yl)-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H10N4O/c16-9-10-5-7-11(8-6-10)14(20)19-15-17-12-3-1-2-4-13(12)18-15/h1-8H,(H2,17,18,19,20)
InChIKeyFHVGTWAOXKHPRB-UHFFFAOYSA-N
XLogP2.69
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-cyanobenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-cyanobenzamide (CID 2094734) is N-(1H-benzimidazol-2-yl)-4-cyanobenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-cyanobenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-cyanobenzamide?
The InChIKey is FHVGTWAOXKHPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c16-9-10-5-7-11(8-6-10)14(20)19-15-17-12-3-1-2-4-13(12)18-15/h1-8H,(H2,17,18,19,20).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-cyanobenzamide?
N-(1H-benzimidazol-2-yl)-4-cyanobenzamide has a molecular weight of 262.27 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-cyanobenzamide is sourced from PubChem (CID 2094734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).