2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole

C21H13N5O — CID 126749781

IUPAC2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-n3c4ccccc4n4c5ccccc5nc34)o2)cc1
InChIInChI=1S/C21H13N5O/c1-2-8-14(9-3-1)19-23-24-21(27-19)26-18-13-7-6-12-17(18)25-16-11-5-4-10-15(16)22-20(25)26/h1-13H
InChIKeyQESHWSMHJSNVSS-UHFFFAOYSA-N
MW351.37 g/mol
LogP4.48
Rot. Bonds2

About 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole

2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 126749781) has the molecular formula C21H13N5O and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole
PubChem CID126749781
Molecular FormulaC21H13N5O
Molecular Weight351.37 g/mol
Exact Mass351.11
IUPAC Name2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-n3c4ccccc4n4c5ccccc5nc34)o2)cc1
InChIInChI=1S/C21H13N5O/c1-2-8-14(9-3-1)19-23-24-21(27-19)26-18-13-7-6-12-17(18)25-16-11-5-4-10-15(16)22-20(25)26/h1-13H
InChIKeyQESHWSMHJSNVSS-UHFFFAOYSA-N
XLogP4.48
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
2-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-phenyl-1,3,4-oxadiazole;2-(7-methylbenzimidazolo[2,1-b][1,3]benzothiazol-4-yl)-5-[7-(trideuteriomethyl)benzimidazolo[2,1-b][1,3]benzothiazol-4-yl]-1,3,4-oxadiazole
CID 163415364
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile
CID 122592030
5-[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-phenylcarbazol-9-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 169077515
5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248633
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
5-dibenzofuran-1-ylbenzimidazolo[1,2-a]benzimidazole
CID 121420234

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole (CID 126749781) is 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-n3c4ccccc4n4c5ccccc5nc34)o2)cc1.
What is the InChIKey of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is QESHWSMHJSNVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O/c1-2-8-14(9-3-1)19-23-24-21(27-19)26-18-13-7-6-12-17(18)25-16-11-5-4-10-15(16)22-20(25)26/h1-13H.
What are the key properties of 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole?
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 351.37 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 126749781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).