4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole

C12H6F2N4 — CID 163938167

IUPAC4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
SMILESFc1cc2c(c3c(F)cc4c(c13)=NCN=4)=NCN=2
InChIInChI=1S/C12H6F2N4/c13-5-1-7-11(17-3-15-7)10-6(14)2-8-12(9(5)10)18-4-16-8/h1-2H,3-4H2
InChIKeyROPXSVHNYQKBQO-UHFFFAOYSA-N
MW244.20 g/mol
LogP-0.46
Rot. Bonds

About 4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole

4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole (PubChem CID 163938167) has the molecular formula C12H6F2N4 and a molecular weight of 244.20 g/mol. Its IUPAC name is 4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole.

Molecular Properties

Compound Name4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
PubChem CID163938167
Molecular FormulaC12H6F2N4
Molecular Weight244.20 g/mol
Exact Mass244.06
IUPAC Name4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
SMILESFc1cc2c(c3c(F)cc4c(c13)=NCN=4)=NCN=2
InChIInChI=1S/C12H6F2N4/c13-5-1-7-11(17-3-15-7)10-6(14)2-8-12(9(5)10)18-4-16-8/h1-2H,3-4H2
InChIKeyROPXSVHNYQKBQO-UHFFFAOYSA-N
XLogP-0.46
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The IUPAC name of 4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole (CID 163938167) is 4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole.
What is the SMILES notation for 4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The canonical SMILES for 4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole is Fc1cc2c(c3c(F)cc4c(c13)=NCN=4)=NCN=2.
What is the InChIKey of 4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The InChIKey is ROPXSVHNYQKBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N4/c13-5-1-7-11(17-3-15-7)10-6(14)2-8-12(9(5)10)18-4-16-8/h1-2H,3-4H2.
What are the key properties of 4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole has a molecular weight of 244.20 g/mol, XLogP of -0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole is sourced from PubChem (CID 163938167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).