1-(3-cyanophenyl)benzimidazole-4-carboxylic acid

C15H9N3O2 — CID 115542701

IUPAC1-(3-cyanophenyl)benzimidazole-4-carboxylic acid
SMILESN#Cc1cccc(-n2cnc3c(C(=O)O)cccc32)c1
InChIInChI=1S/C15H9N3O2/c16-8-10-3-1-4-11(7-10)18-9-17-14-12(15(19)20)5-2-6-13(14)18/h1-7,9H,(H,19,20)
InChIKeyVFQQONKQHHRAJR-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.60
Rot. Bonds2

About 1-(3-cyanophenyl)benzimidazole-4-carboxylic acid

1-(3-cyanophenyl)benzimidazole-4-carboxylic acid (PubChem CID 115542701) has the molecular formula C15H9N3O2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(3-cyanophenyl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyanophenyl)benzimidazole-4-carboxylic acid
PubChem CID115542701
Molecular FormulaC15H9N3O2
Molecular Weight263.26 g/mol
Exact Mass263.07
IUPAC Name1-(3-cyanophenyl)benzimidazole-4-carboxylic acid
SMILESN#Cc1cccc(-n2cnc3c(C(=O)O)cccc32)c1
InChIInChI=1S/C15H9N3O2/c16-8-10-3-1-4-11(7-10)18-9-17-14-12(15(19)20)5-2-6-13(14)18/h1-7,9H,(H,19,20)
InChIKeyVFQQONKQHHRAJR-UHFFFAOYSA-N
XLogP2.60
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)phenyl]benzimidazole-4-carboxylic acid
CID 115543982
1-(2-cyano-3-methylphenyl)benzimidazole-4-carboxylic acid
CID 107800016
1-(4-ethylphenyl)benzimidazole-4-carboxylic acid
CID 115542688
1-(3-cyanophenyl)pyrrole-2-carboxylic acid
CID 10488716
1-(3-cyanophenyl)imidazole-4-carboxylic acid
CID 69379074
1-(3-bromo-5-methoxyphenyl)benzimidazole-4-carboxylic acid
CID 82860467
1-[5-(benzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290744
1-(2,5-difluorophenyl)benzimidazole-4-carboxylic acid
CID 115542827
1-[3-(2-acetylphenyl)phenyl]benzimidazole-5-carbonitrile
CID 24768643
3-(2-chloro-5-cyanophenyl)benzimidazole-4-carboxylic acid
CID 115933623
2-(3-cyanophenyl)-5-methylpyrazole-3-carboxylic acid
CID 10846907
6-cyanonaphthalene-1-carboxylic acid
CID 22622245

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)benzimidazole-4-carboxylic acid?
The IUPAC name of 1-(3-cyanophenyl)benzimidazole-4-carboxylic acid (CID 115542701) is 1-(3-cyanophenyl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyanophenyl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(3-cyanophenyl)benzimidazole-4-carboxylic acid is N#Cc1cccc(-n2cnc3c(C(=O)O)cccc32)c1.
What is the InChIKey of 1-(3-cyanophenyl)benzimidazole-4-carboxylic acid?
The InChIKey is VFQQONKQHHRAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O2/c16-8-10-3-1-4-11(7-10)18-9-17-14-12(15(19)20)5-2-6-13(14)18/h1-7,9H,(H,19,20).
What are the key properties of 1-(3-cyanophenyl)benzimidazole-4-carboxylic acid?
1-(3-cyanophenyl)benzimidazole-4-carboxylic acid has a molecular weight of 263.26 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115542701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).