5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane

C45H30N12 — CID 158374242

IUPAC5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane
SMILESC.c1ccc2nn(-c3cc(-n4c5ccccc5n5c6ccccc6nc45)c(-n4c5ccccc5n5c6ccccc6nc45)cc3-n3nc4ccccc4n3)nc2c1
InChIInChI=1S/C44H26N12.CH4/c1-2-14-28-27(13-1)47-55(48-28)41-25-39(53-37-23-11-9-21-35(37)51-33-19-7-5-17-31(33)45-43(51)53)40(26-42(41)56-49-29-15-3-4-16-30(29)50-56)54-38-24-12-10-22-36(38)52-34-20-8-6-18-32(34)46-44(52)54;/h1-26H;1H4
InChIKeyGUZQLXHSDKDWHM-UHFFFAOYSA-N
MW738.82 g/mol
LogP9.28
Rot. Bonds4

About 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane

5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane (PubChem CID 158374242) has the molecular formula C45H30N12 and a molecular weight of 738.82 g/mol. Its IUPAC name is 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane.

Molecular Properties

Compound Name5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane
PubChem CID158374242
Molecular FormulaC45H30N12
Molecular Weight738.82 g/mol
Exact Mass738.27
IUPAC Name5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane
SMILESC.c1ccc2nn(-c3cc(-n4c5ccccc5n5c6ccccc6nc45)c(-n4c5ccccc5n5c6ccccc6nc45)cc3-n3nc4ccccc4n3)nc2c1
InChIInChI=1S/C44H26N12.CH4/c1-2-14-28-27(13-1)47-55(48-28)41-25-39(53-37-23-11-9-21-35(37)51-33-19-7-5-17-31(33)45-43(51)53)40(26-42(41)56-49-29-15-3-4-16-30(29)50-56)54-38-24-12-10-22-36(38)52-34-20-8-6-18-32(34)46-44(52)54;/h1-26H;1H4
InChIKeyGUZQLXHSDKDWHM-UHFFFAOYSA-N
XLogP9.28
TPSA105.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500738.82
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248633
5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 121299899
5-[2-(2-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 165160516
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
5-dibenzofuran-1-ylbenzimidazolo[1,2-a]benzimidazole
CID 121420234
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
CID 134409735
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
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-[2-(1,2-dimethylcyclopropyl)phenyl]benzimidazolo[1,2-a]benzimidazole;ethane
CID 145320681

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane?
The IUPAC name of 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane (CID 158374242) is 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane.
What is the SMILES notation for 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane?
The canonical SMILES for 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane is C.c1ccc2nn(-c3cc(-n4c5ccccc5n5c6ccccc6nc45)c(-n4c5ccccc5n5c6ccccc6nc45)cc3-n3nc4ccccc4n3)nc2c1.
What is the InChIKey of 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane?
The InChIKey is GUZQLXHSDKDWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N12.CH4/c1-2-14-28-27(13-1)47-55(48-28)41-25-39(53-37-23-11-9-21-35(37)51-33-19-7-5-17-31(33)45-43(51)53)40(26-42(41)56-49-29-15-3-4-16-30(29)50-56)54-38-24-12-10-22-36(38)52-34-20-8-6-18-32(34)46-44(52)54;/h1-26H;1H4.
What are the key properties of 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane?
5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane has a molecular weight of 738.82 g/mol, XLogP of 9.28, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane is sourced from PubChem (CID 158374242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).