5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole

C25H16N6 — CID 118429566

IUPAC5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2nc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3n2)cc1
InChIInChI=1S/C25H16N6/c1-2-8-17(9-3-1)31-27-19-15-14-18(16-21(19)28-31)29-23-12-6-7-13-24(23)30-22-11-5-4-10-20(22)26-25(29)30/h1-16H
InChIKeyLBNUPDWELVJHDV-UHFFFAOYSA-N
MW400.45 g/mol
LogP5.17
Rot. Bonds2

About 5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole

5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 118429566) has the molecular formula C25H16N6 and a molecular weight of 400.45 g/mol. Its IUPAC name is 5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
PubChem CID118429566
Molecular FormulaC25H16N6
Molecular Weight400.45 g/mol
Exact Mass400.14
IUPAC Name5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc(-n2nc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3n2)cc1
InChIInChI=1S/C25H16N6/c1-2-8-17(9-3-1)31-27-19-15-14-18(16-21(19)28-31)29-23-12-6-7-13-24(23)30-22-11-5-4-10-20(22)26-25(29)30/h1-16H
InChIKeyLBNUPDWELVJHDV-UHFFFAOYSA-N
XLogP5.17
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
5-[3-[6-phenyl-2-(6-phenylindolo[2,3-b]indol-5-yl)indolo[2,3-b]indol-5-yl]phenyl]benzimidazolo[1,2-a]benzimidazole
CID 146631705
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-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
CID 122546209
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
CID 134409735
5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane
CID 158374242
12,27-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-8,15,23,30-tetrazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(30),2,4,6,9(14),10,12,15,17,19,21,24(29),25,27-tetradecaene
CID 130450199
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

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole (CID 118429566) is 5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole is c1ccc(-n2nc3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3n2)cc1.
What is the InChIKey of 5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is LBNUPDWELVJHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N6/c1-2-8-17(9-3-1)31-27-19-15-14-18(16-21(19)28-31)29-23-12-6-7-13-24(23)30-22-11-5-4-10-20(22)26-25(29)30/h1-16H.
What are the key properties of 5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole?
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 400.45 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 118429566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).