4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole

C16H20N4 — CID 134451261

IUPAC4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole
SMILESCC(C)(C)c1c2c(c(C(C)(C)C)c3c1=NCN=3)N=C=N2
InChIInChI=1S/C16H20N4/c1-15(2,3)9-11-13(19-7-17-11)10(16(4,5)6)14-12(9)18-8-20-14/h7H2,1-6H3
InChIKeyPLPBWUISGAKJIC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.94
Rot. Bonds

About 4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole

4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole (PubChem CID 134451261) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole
PubChem CID134451261
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole
SMILESCC(C)(C)c1c2c(c(C(C)(C)C)c3c1=NCN=3)N=C=N2
InChIInChI=1S/C16H20N4/c1-15(2,3)9-11-13(19-7-17-11)10(16(4,5)6)14-12(9)18-8-20-14/h7H2,1-6H3
InChIKeyPLPBWUISGAKJIC-UHFFFAOYSA-N
XLogP2.94
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole?
The IUPAC name of 4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole (CID 134451261) is 4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole.
What is the SMILES notation for 4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole?
The canonical SMILES for 4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole is CC(C)(C)c1c2c(c(C(C)(C)C)c3c1=NCN=3)N=C=N2.
What is the InChIKey of 4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole?
The InChIKey is PLPBWUISGAKJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-15(2,3)9-11-13(19-7-17-11)10(16(4,5)6)14-12(9)18-8-20-14/h7H2,1-6H3.
What are the key properties of 4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole?
4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole has a molecular weight of 268.36 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole is sourced from PubChem (CID 134451261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).