pyrrolo[1,2-a]benzimidazol-1-one

C10H6N2O — CID 23661048

IUPACpyrrolo[1,2-a]benzimidazol-1-one
SMILESO=C1C=Cc2nc3ccccc3n21
InChIInChI=1S/C10H6N2O/c13-10-6-5-9-11-7-3-1-2-4-8(7)12(9)10/h1-6H
InChIKeyUWQVWPZBJCDVQM-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.70
Rot. Bonds

About pyrrolo[1,2-a]benzimidazol-1-one

pyrrolo[1,2-a]benzimidazol-1-one (PubChem CID 23661048) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is pyrrolo[1,2-a]benzimidazol-1-one.

Molecular Properties

Compound Namepyrrolo[1,2-a]benzimidazol-1-one
PubChem CID23661048
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Namepyrrolo[1,2-a]benzimidazol-1-one
SMILESO=C1C=Cc2nc3ccccc3n21
InChIInChI=1S/C10H6N2O/c13-10-6-5-9-11-7-3-1-2-4-8(7)12(9)10/h1-6H
InChIKeyUWQVWPZBJCDVQM-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-a]benzimidazol-1-one?
The IUPAC name of pyrrolo[1,2-a]benzimidazol-1-one (CID 23661048) is pyrrolo[1,2-a]benzimidazol-1-one.
What is the SMILES notation for pyrrolo[1,2-a]benzimidazol-1-one?
The canonical SMILES for pyrrolo[1,2-a]benzimidazol-1-one is O=C1C=Cc2nc3ccccc3n21.
What is the InChIKey of pyrrolo[1,2-a]benzimidazol-1-one?
The InChIKey is UWQVWPZBJCDVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c13-10-6-5-9-11-7-3-1-2-4-8(7)12(9)10/h1-6H.
What are the key properties of pyrrolo[1,2-a]benzimidazol-1-one?
pyrrolo[1,2-a]benzimidazol-1-one has a molecular weight of 170.17 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-a]benzimidazol-1-one is sourced from PubChem (CID 23661048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).