2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile

C21H11N5 — CID 122592030

IUPAC2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2ccccc2n2c3ccccc3nc12
InChIInChI=1S/C21H11N5/c22-12-14-6-5-7-15(13-23)20(14)26-19-11-4-3-10-18(19)25-17-9-2-1-8-16(17)24-21(25)26/h1-11H
InChIKeyJAQFYXLPLCLPCX-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.17
Rot. Bonds1

About 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile

2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile (PubChem CID 122592030) has the molecular formula C21H11N5 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile
PubChem CID122592030
Molecular FormulaC21H11N5
Molecular Weight333.35 g/mol
Exact Mass333.10
IUPAC Name2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-n1c2ccccc2n2c3ccccc3nc12
InChIInChI=1S/C21H11N5/c22-12-14-6-5-7-15(13-23)20(14)26-19-11-4-3-10-18(19)25-17-9-2-1-8-16(17)24-21(25)26/h1-11H
InChIKeyJAQFYXLPLCLPCX-UHFFFAOYSA-N
XLogP4.17
TPSA69.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)benzonitrile
CID 122546141
5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248633
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methylbenzonitrile
CID 107107391
17-(3-cyanophenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile
CID 122546268
17-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile;4-(4-cyano-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaen-17-yl)benzene-1,2-dicarbonitrile;17-(3-cyanophenyl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene-4-carbonitrile
CID 158905812
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-(2,3,4,5,6-pentakis-phenylphenyl)benzonitrile;5-[3-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-2,3,5,6-tetraphenylphenyl]phenyl]benzimidazolo[1,2-a]benzimidazole;5-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 157097381
4,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-2-triphenylsilylpyrimidine-5-carbonitrile
CID 171722999
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
11-(benzimidazolo[1,2-a]benzimidazol-5-yl)tetraphenylene-2-carbonitrile
CID 140920414
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
2,6-bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]benzonitrile;ethane
CID 145162378
5-[4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 170295081

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile (CID 122592030) is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-n1c2ccccc2n2c3ccccc3nc12.
What is the InChIKey of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile?
The InChIKey is JAQFYXLPLCLPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11N5/c22-12-14-6-5-7-15(13-23)20(14)26-19-11-4-3-10-18(19)25-17-9-2-1-8-16(17)24-21(25)26/h1-11H.
What are the key properties of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile?
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile has a molecular weight of 333.35 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 122592030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).