2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid

C15H9N3O2 — CID 23509758

IUPAC2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESN#Cc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1
InChIInChI=1S/C15H9N3O2/c16-8-9-1-3-10(4-2-9)14-17-12-6-5-11(15(19)20)7-13(12)18-14/h1-7H,(H,17,18)(H,19,20)
InChIKeyHRUUSKALOILBKF-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.80
Rot. Bonds2

About 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid

2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 23509758) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID23509758
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid
SMILESN#Cc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1
InChIInChI=1S/C15H9N3O2/c16-8-9-1-3-10(4-2-9)14-17-12-6-5-11(15(19)20)7-13(12)18-14/h1-7H,(H,17,18)(H,19,20)
InChIKeyHRUUSKALOILBKF-UHFFFAOYSA-N
XLogP2.80
TPSA89.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid (CID 23509758) is 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid is N#Cc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is HRUUSKALOILBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c16-8-9-1-3-10(4-2-9)14-17-12-6-5-11(15(19)20)7-13(12)18-14/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid?
2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 23509758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).