3H-pyrrolo[3,4-f]benzimidazol-7-one

C9H5N3O — CID 143628134

IUPAC3H-pyrrolo[3,4-f]benzimidazol-7-one
SMILESO=C1N=Cc2cc3[nH]cnc3cc21
InChIInChI=1S/C9H5N3O/c13-9-6-2-8-7(11-4-12-8)1-5(6)3-10-9/h1-4H,(H,11,12)
InChIKeyWJHYHTCYANRQOO-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.14
Rot. Bonds

About 3H-pyrrolo[3,4-f]benzimidazol-7-one

3H-pyrrolo[3,4-f]benzimidazol-7-one (PubChem CID 143628134) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 3H-pyrrolo[3,4-f]benzimidazol-7-one.

Molecular Properties

Compound Name3H-pyrrolo[3,4-f]benzimidazol-7-one
PubChem CID143628134
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name3H-pyrrolo[3,4-f]benzimidazol-7-one
SMILESO=C1N=Cc2cc3[nH]cnc3cc21
InChIInChI=1S/C9H5N3O/c13-9-6-2-8-7(11-4-12-8)1-5(6)3-10-9/h1-4H,(H,11,12)
InChIKeyWJHYHTCYANRQOO-UHFFFAOYSA-N
XLogP1.14
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-pyrrolo[3,4-f]benzimidazol-7-one?
The IUPAC name of 3H-pyrrolo[3,4-f]benzimidazol-7-one (CID 143628134) is 3H-pyrrolo[3,4-f]benzimidazol-7-one.
What is the SMILES notation for 3H-pyrrolo[3,4-f]benzimidazol-7-one?
The canonical SMILES for 3H-pyrrolo[3,4-f]benzimidazol-7-one is O=C1N=Cc2cc3[nH]cnc3cc21.
What is the InChIKey of 3H-pyrrolo[3,4-f]benzimidazol-7-one?
The InChIKey is WJHYHTCYANRQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c13-9-6-2-8-7(11-4-12-8)1-5(6)3-10-9/h1-4H,(H,11,12).
What are the key properties of 3H-pyrrolo[3,4-f]benzimidazol-7-one?
3H-pyrrolo[3,4-f]benzimidazol-7-one has a molecular weight of 171.16 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrrolo[3,4-f]benzimidazol-7-one is sourced from PubChem (CID 143628134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).