pyrrolo[1,2-a]imidazol-4-ium

C6H5N2+ — CID 68708881

IUPACpyrrolo[1,2-a]imidazol-4-ium
SMILESC1=CC2=NC=C[N+]2=C1
InChIInChI=1S/C6H5N2/c1-2-6-7-3-5-8(6)4-1/h1-5H/q+1
InChIKeyRZUXYMSBTOLFFF-UHFFFAOYSA-N
MW105.12 g/mol
LogP0.52
Rot. Bonds

About pyrrolo[1,2-a]imidazol-4-ium

pyrrolo[1,2-a]imidazol-4-ium (PubChem CID 68708881) has the molecular formula C6H5N2+ and a molecular weight of 105.12 g/mol. Its IUPAC name is pyrrolo[1,2-a]imidazol-4-ium.

Molecular Properties

Compound Namepyrrolo[1,2-a]imidazol-4-ium
PubChem CID68708881
Molecular FormulaC6H5N2+
Molecular Weight105.12 g/mol
Exact Mass105.04
IUPAC Namepyrrolo[1,2-a]imidazol-4-ium
SMILESC1=CC2=NC=C[N+]2=C1
InChIInChI=1S/C6H5N2/c1-2-6-7-3-5-8(6)4-1/h1-5H/q+1
InChIKeyRZUXYMSBTOLFFF-UHFFFAOYSA-N
XLogP0.52
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze pyrrolo[1,2-a]imidazol-4-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-a]imidazol-4-ium?
The IUPAC name of pyrrolo[1,2-a]imidazol-4-ium (CID 68708881) is pyrrolo[1,2-a]imidazol-4-ium.
What is the SMILES notation for pyrrolo[1,2-a]imidazol-4-ium?
The canonical SMILES for pyrrolo[1,2-a]imidazol-4-ium is C1=CC2=NC=C[N+]2=C1.
What is the InChIKey of pyrrolo[1,2-a]imidazol-4-ium?
The InChIKey is RZUXYMSBTOLFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N2/c1-2-6-7-3-5-8(6)4-1/h1-5H/q+1.
What are the key properties of pyrrolo[1,2-a]imidazol-4-ium?
pyrrolo[1,2-a]imidazol-4-ium has a molecular weight of 105.12 g/mol, XLogP of 0.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-a]imidazol-4-ium is sourced from PubChem (CID 68708881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).