pyrrolo[3,4-e]benzimidazole

C9H5N3 — CID 67258548

IUPACpyrrolo[3,4-e]benzimidazole
SMILESC1=NC=c2ccc3c(c21)N=CN=3
InChIInChI=1S/C9H5N3/c1-2-8-9(12-5-11-8)7-4-10-3-6(1)7/h1-5H
InChIKeyNVZLBPXTJTXPDC-UHFFFAOYSA-N
MW155.16 g/mol
LogP0.15
Rot. Bonds

About pyrrolo[3,4-e]benzimidazole

pyrrolo[3,4-e]benzimidazole (PubChem CID 67258548) has the molecular formula C9H5N3 and a molecular weight of 155.16 g/mol. Its IUPAC name is pyrrolo[3,4-e]benzimidazole.

Molecular Properties

Compound Namepyrrolo[3,4-e]benzimidazole
PubChem CID67258548
Molecular FormulaC9H5N3
Molecular Weight155.16 g/mol
Exact Mass155.05
IUPAC Namepyrrolo[3,4-e]benzimidazole
SMILESC1=NC=c2ccc3c(c21)N=CN=3
InChIInChI=1S/C9H5N3/c1-2-8-9(12-5-11-8)7-4-10-3-6(1)7/h1-5H
InChIKeyNVZLBPXTJTXPDC-UHFFFAOYSA-N
XLogP0.15
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[3,4-e]benzimidazole?
The IUPAC name of pyrrolo[3,4-e]benzimidazole (CID 67258548) is pyrrolo[3,4-e]benzimidazole.
What is the SMILES notation for pyrrolo[3,4-e]benzimidazole?
The canonical SMILES for pyrrolo[3,4-e]benzimidazole is C1=NC=c2ccc3c(c21)N=CN=3.
What is the InChIKey of pyrrolo[3,4-e]benzimidazole?
The InChIKey is NVZLBPXTJTXPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3/c1-2-8-9(12-5-11-8)7-4-10-3-6(1)7/h1-5H.
What are the key properties of pyrrolo[3,4-e]benzimidazole?
pyrrolo[3,4-e]benzimidazole has a molecular weight of 155.16 g/mol, XLogP of 0.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[3,4-e]benzimidazole is sourced from PubChem (CID 67258548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).