3,4-bis(benzimidazol-1-yl)benzonitrile

C21H13N5 — CID 122546288

IUPAC3,4-bis(benzimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2cnc3ccccc32)c(-n2cnc3ccccc32)c1
InChIInChI=1S/C21H13N5/c22-12-15-9-10-20(25-13-23-16-5-1-3-7-18(16)25)21(11-15)26-14-24-17-6-2-4-8-19(17)26/h1-11,13-14H
InChIKeyXQUUKLAXYYXUDT-UHFFFAOYSA-N
MW335.37 g/mol
LogP4.24
Rot. Bonds2

About 3,4-bis(benzimidazol-1-yl)benzonitrile

3,4-bis(benzimidazol-1-yl)benzonitrile (PubChem CID 122546288) has the molecular formula C21H13N5 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3,4-bis(benzimidazol-1-yl)benzonitrile.

Molecular Properties

Compound Name3,4-bis(benzimidazol-1-yl)benzonitrile
PubChem CID122546288
Molecular FormulaC21H13N5
Molecular Weight335.37 g/mol
Exact Mass335.12
IUPAC Name3,4-bis(benzimidazol-1-yl)benzonitrile
SMILESN#Cc1ccc(-n2cnc3ccccc32)c(-n2cnc3ccccc32)c1
InChIInChI=1S/C21H13N5/c22-12-15-9-10-20(25-13-23-16-5-1-3-7-18(16)25)21(11-15)26-14-24-17-6-2-4-8-19(17)26/h1-11,13-14H
InChIKeyXQUUKLAXYYXUDT-UHFFFAOYSA-N
XLogP4.24
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile
CID 138526953
2-(benzimidazol-1-yl)-4-chlorobenzonitrile
CID 55180235
4-(5,6-dimethylbenzimidazol-1-yl)-3-fluorobenzonitrile
CID 43657383
1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile
CID 171652040
6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile
CID 103473415
2-(benzimidazol-1-yl)quinoline-4-carbonitrile
CID 63884112
(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate
CID 4792894
3-(benzotriazol-2-yl)-4-methylbenzonitrile
CID 142154128
3-(benzimidazol-1-yl)naphthalen-2-ol
CID 57307843
7-iodo-1-phenylbenzimidazole-5-carbonitrile
CID 67485627
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-cyanophenyl)sulfanylacetamide
CID 166190288
1-(2-ethylphenyl)benzimidazole
CID 22078308

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(benzimidazol-1-yl)benzonitrile?
The IUPAC name of 3,4-bis(benzimidazol-1-yl)benzonitrile (CID 122546288) is 3,4-bis(benzimidazol-1-yl)benzonitrile.
What is the SMILES notation for 3,4-bis(benzimidazol-1-yl)benzonitrile?
The canonical SMILES for 3,4-bis(benzimidazol-1-yl)benzonitrile is N#Cc1ccc(-n2cnc3ccccc32)c(-n2cnc3ccccc32)c1.
What is the InChIKey of 3,4-bis(benzimidazol-1-yl)benzonitrile?
The InChIKey is XQUUKLAXYYXUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5/c22-12-15-9-10-20(25-13-23-16-5-1-3-7-18(16)25)21(11-15)26-14-24-17-6-2-4-8-19(17)26/h1-11,13-14H.
What are the key properties of 3,4-bis(benzimidazol-1-yl)benzonitrile?
3,4-bis(benzimidazol-1-yl)benzonitrile has a molecular weight of 335.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(benzimidazol-1-yl)benzonitrile is sourced from PubChem (CID 122546288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).