3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine

C24H14N4O — CID 90090602

IUPAC3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc2c(c1)nc1n(-c3cnc4oc5ccccc5c4c3)c3ccccc3n21
InChIInChI=1S/C24H14N4O/c1-6-12-22-16(7-1)17-13-15(14-25-23(17)29-22)27-20-10-4-5-11-21(20)28-19-9-3-2-8-18(19)26-24(27)28/h1-14H
InChIKeyBBDCZPDYJCENIJ-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.73
Rot. Bonds1

About 3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine

3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine (PubChem CID 90090602) has the molecular formula C24H14N4O and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine.

Molecular Properties

Compound Name3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine
PubChem CID90090602
Molecular FormulaC24H14N4O
Molecular Weight374.40 g/mol
Exact Mass374.12
IUPAC Name3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine
SMILESc1ccc2c(c1)nc1n(-c3cnc4oc5ccccc5c4c3)c3ccccc3n21
InChIInChI=1S/C24H14N4O/c1-6-12-22-16(7-1)17-13-15(14-25-23(17)29-22)27-20-10-4-5-11-21(20)28-19-9-3-2-8-18(19)26-24(27)28/h1-14H
InChIKeyBBDCZPDYJCENIJ-UHFFFAOYSA-N
XLogP5.73
TPSA48.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine?
The IUPAC name of 3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine (CID 90090602) is 3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine.
What is the SMILES notation for 3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine?
The canonical SMILES for 3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine is c1ccc2c(c1)nc1n(-c3cnc4oc5ccccc5c4c3)c3ccccc3n21.
What is the InChIKey of 3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine?
The InChIKey is BBDCZPDYJCENIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O/c1-6-12-22-16(7-1)17-13-15(14-25-23(17)29-22)27-20-10-4-5-11-21(20)28-19-9-3-2-8-18(19)26-24(27)28/h1-14H.
What are the key properties of 3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine?
3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine has a molecular weight of 374.40 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-b]pyridine is sourced from PubChem (CID 90090602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).