5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole

C20H22F2N4 — CID 134451232

IUPAC5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
SMILESCC(C)(C)c1c(F)c2c3c(c(C(C)(C)C)c(F)c2c2c1=NCN=2)=NCN=3
InChIInChI=1S/C20H22F2N4/c1-19(2,3)11-13(21)9-10(15-17(11)25-7-23-15)14(22)12(20(4,5)6)18-16(9)24-8-26-18/h7-8H2,1-6H3
InChIKeyJVYGQBJDVSLRRW-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.13
Rot. Bonds

About 5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole

5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole (PubChem CID 134451232) has the molecular formula C20H22F2N4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole.

Molecular Properties

Compound Name5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
PubChem CID134451232
Molecular FormulaC20H22F2N4
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC Name5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole
SMILESCC(C)(C)c1c(F)c2c3c(c(C(C)(C)C)c(F)c2c2c1=NCN=2)=NCN=3
InChIInChI=1S/C20H22F2N4/c1-19(2,3)11-13(21)9-10(15-17(11)25-7-23-15)14(22)12(20(4,5)6)18-16(9)24-8-26-18/h7-8H2,1-6H3
InChIKeyJVYGQBJDVSLRRW-UHFFFAOYSA-N
XLogP2.13
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The IUPAC name of 5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole (CID 134451232) is 5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole.
What is the SMILES notation for 5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The canonical SMILES for 5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole is CC(C)(C)c1c(F)c2c3c(c(C(C)(C)C)c(F)c2c2c1=NCN=2)=NCN=3.
What is the InChIKey of 5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
The InChIKey is JVYGQBJDVSLRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4/c1-19(2,3)11-13(21)9-10(15-17(11)25-7-23-15)14(22)12(20(4,5)6)18-16(9)24-8-26-18/h7-8H2,1-6H3.
What are the key properties of 5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole?
5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole has a molecular weight of 356.42 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-ditert-butyl-4,9-difluoro-2,7-dihydrobenzimidazolo[5,4-e]benzimidazole is sourced from PubChem (CID 134451232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).