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

C20H13N5 — CID 121299899

IUPAC5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2[nH]c(-n3c4ccccc4n4c5ccccc5nc34)nc2c1
InChIInChI=1S/C20H13N5/c1-2-8-14-13(7-1)21-19(22-14)25-18-12-6-5-11-17(18)24-16-10-4-3-9-15(16)23-20(24)25/h1-12H,(H,21,22)
InChIKeyGPPDFGMVZIXPTE-UHFFFAOYSA-N
MW323.36 g/mol
LogP4.31
Rot. Bonds1

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

5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 121299899) has the molecular formula C20H13N5 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
PubChem CID121299899
Molecular FormulaC20H13N5
Molecular Weight323.36 g/mol
Exact Mass323.12
IUPAC Name5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
SMILESc1ccc2[nH]c(-n3c4ccccc4n4c5ccccc5nc34)nc2c1
InChIInChI=1S/C20H13N5/c1-2-8-14-13(7-1)21-19(22-14)25-18-12-6-5-11-17(18)24-16-10-4-3-9-15(16)23-20(24)25/h1-12H,(H,21,22)
InChIKeyGPPDFGMVZIXPTE-UHFFFAOYSA-N
XLogP4.31
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 122468410
5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
5-[2,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)pyrimidin-4-yl]benzimidazolo[1,2-a]benzimidazole
CID 135248633
5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-4,5-bis(benzotriazol-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole;methane
CID 158374242
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzene-1,3-dicarbonitrile
CID 122592030
5-[2-(2-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 165160516
1-(1H-benzimidazol-2-yl)-N-piperidin-4-ylbenzimidazol-2-amine
CID 22037023
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
5-(6-chloro-3-pyridinyl)benzimidazolo[1,2-a]benzimidazole
CID 146255606
4,17-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene
CID 139484173
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
2-pyrazol-1-yl-1H-benzimidazole
CID 639420

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole (CID 121299899) is 5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole is c1ccc2[nH]c(-n3c4ccccc4n4c5ccccc5nc34)nc2c1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is GPPDFGMVZIXPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5/c1-2-8-14-13(7-1)21-19(22-14)25-18-12-6-5-11-17(18)24-16-10-4-3-9-15(16)23-20(24)25/h1-12H,(H,21,22).
What are the key properties of 5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole?
5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 323.36 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 121299899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).