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

C24H14N4O — CID 90090607

IUPAC6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)nc1n(-c3ccc4oc5cnccc5c4c3)c3ccccc3n21
InChIInChI=1S/C24H14N4O/c1-2-6-19-18(5-1)26-24-27(20-7-3-4-8-21(20)28(19)24)15-9-10-22-17(13-15)16-11-12-25-14-23(16)29-22/h1-14H
InChIKeyAWDMNCDJPQWQID-UHFFFAOYSA-N
MW374.40 g/mol
LogP5.73
Rot. Bonds1

About 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine

6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine (PubChem CID 90090607) has the molecular formula C24H14N4O and a molecular weight of 374.40 g/mol. Its IUPAC name is 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine
PubChem CID90090607
Molecular FormulaC24H14N4O
Molecular Weight374.40 g/mol
Exact Mass374.12
IUPAC Name6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc2c(c1)nc1n(-c3ccc4oc5cnccc5c4c3)c3ccccc3n21
InChIInChI=1S/C24H14N4O/c1-2-6-19-18(5-1)26-24-27(20-7-3-4-8-21(20)28(19)24)15-9-10-22-17(13-15)16-11-12-25-14-23(16)29-22/h1-14H
InChIKeyAWDMNCDJPQWQID-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 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine (CID 90090607) is 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine is c1ccc2c(c1)nc1n(-c3ccc4oc5cnccc5c4c3)c3ccccc3n21.
What is the InChIKey of 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine?
The InChIKey is AWDMNCDJPQWQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O/c1-2-6-19-18(5-1)26-24-27(20-7-3-4-8-21(20)28(19)24)15-9-10-22-17(13-15)16-11-12-25-14-23(16)29-22/h1-14H.
What are the key properties of 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine?
6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]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 6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 90090607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).