4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole

C30H18N6O — CID 59500331

IUPAC4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole
SMILESc1ccc2c(c1)n(-c1ccc3c(c1)oc1cc(-n4c5ccccc5n5nccc45)ccc13)c1ccnn21
InChIInChI=1S/C30H18N6O/c1-3-7-25-23(5-1)33(29-13-15-31-35(25)29)19-9-11-21-22-12-10-20(18-28(22)37-27(21)17-19)34-24-6-2-4-8-26(24)36-30(34)14-16-32-36/h1-18H
InChIKeyCVURLVZEYWAALA-UHFFFAOYSA-N
MW478.52 g/mol
LogP6.77
Rot. Bonds2

About 4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole

4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole (PubChem CID 59500331) has the molecular formula C30H18N6O and a molecular weight of 478.52 g/mol. Its IUPAC name is 4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole.

Molecular Properties

Compound Name4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole
PubChem CID59500331
Molecular FormulaC30H18N6O
Molecular Weight478.52 g/mol
Exact Mass478.15
IUPAC Name4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole
SMILESc1ccc2c(c1)n(-c1ccc3c(c1)oc1cc(-n4c5ccccc5n5nccc45)ccc13)c1ccnn21
InChIInChI=1S/C30H18N6O/c1-3-7-25-23(5-1)33(29-13-15-31-35(25)29)19-9-11-21-22-12-10-20(18-28(22)37-27(21)17-19)34-24-6-2-4-8-26(24)36-30(34)14-16-32-36/h1-18H
InChIKeyCVURLVZEYWAALA-UHFFFAOYSA-N
XLogP6.77
TPSA57.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole?
The IUPAC name of 4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole (CID 59500331) is 4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole.
What is the SMILES notation for 4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole?
The canonical SMILES for 4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole is c1ccc2c(c1)n(-c1ccc3c(c1)oc1cc(-n4c5ccccc5n5nccc45)ccc13)c1ccnn21.
What is the InChIKey of 4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole?
The InChIKey is CVURLVZEYWAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N6O/c1-3-7-25-23(5-1)33(29-13-15-31-35(25)29)19-9-11-21-22-12-10-20(18-28(22)37-27(21)17-19)34-24-6-2-4-8-26(24)36-30(34)14-16-32-36/h1-18H.
What are the key properties of 4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole?
4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole has a molecular weight of 478.52 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-pyrazolo[1,5-a]benzimidazol-4-yldibenzofuran-3-yl)pyrazolo[1,5-a]benzimidazole is sourced from PubChem (CID 59500331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).