2,7-dihydrobenzimidazolo[5,4-e]benzimidazole

C12H8N4 — CID 122502605

IUPAC2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
SMILESc1cc2c3c(ccc2c2c1=NCN=2)=NCN=3
InChIInChI=1S/C12H8N4/c1-3-9-12(16-5-13-9)8-2-4-10-11(7(1)8)15-6-14-10/h1-4H,5-6H2
InChIKeyFLXORJFTLYSKTK-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.74
Rot. Bonds

About 2,7-dihydrobenzimidazolo[5,4-e]benzimidazole

2,7-dihydrobenzimidazolo[5,4-e]benzimidazole (PubChem CID 122502605) has the molecular formula C12H8N4 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2,7-dihydrobenzimidazolo[5,4-e]benzimidazole.

Molecular Properties

Compound Name2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
PubChem CID122502605
Molecular FormulaC12H8N4
Molecular Weight208.22 g/mol
Exact Mass208.07
IUPAC Name2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
SMILESc1cc2c3c(ccc2c2c1=NCN=2)=NCN=3
InChIInChI=1S/C12H8N4/c1-3-9-12(16-5-13-9)8-2-4-10-11(7(1)8)15-6-14-10/h1-4H,5-6H2
InChIKeyFLXORJFTLYSKTK-UHFFFAOYSA-N
XLogP-0.74
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The IUPAC name of 2,7-dihydrobenzimidazolo[5,4-e]benzimidazole (CID 122502605) is 2,7-dihydrobenzimidazolo[5,4-e]benzimidazole.
What is the SMILES notation for 2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The canonical SMILES for 2,7-dihydrobenzimidazolo[5,4-e]benzimidazole is c1cc2c3c(ccc2c2c1=NCN=2)=NCN=3.
What is the InChIKey of 2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The InChIKey is FLXORJFTLYSKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N4/c1-3-9-12(16-5-13-9)8-2-4-10-11(7(1)8)15-6-14-10/h1-4H,5-6H2.
What are the key properties of 2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
2,7-dihydrobenzimidazolo[5,4-e]benzimidazole has a molecular weight of 208.22 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydrobenzimidazolo[5,4-e]benzimidazole is sourced from PubChem (CID 122502605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).