pyrimido[1,2-a]benzimidazole-8,9-dione

C10H5N3O2 — CID 23459861

IUPACpyrimido[1,2-a]benzimidazole-8,9-dione
SMILESO=C1C=Cc2c(nc3ncccn23)C1=O
InChIInChI=1S/C10H5N3O2/c14-7-3-2-6-8(9(7)15)12-10-11-4-1-5-13(6)10/h1-5H
InChIKeyMVOMTFKWVAGQPY-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.51
Rot. Bonds

About pyrimido[1,2-a]benzimidazole-8,9-dione

pyrimido[1,2-a]benzimidazole-8,9-dione (PubChem CID 23459861) has the molecular formula C10H5N3O2 and a molecular weight of 199.17 g/mol. Its IUPAC name is pyrimido[1,2-a]benzimidazole-8,9-dione.

Molecular Properties

Compound Namepyrimido[1,2-a]benzimidazole-8,9-dione
PubChem CID23459861
Molecular FormulaC10H5N3O2
Molecular Weight199.17 g/mol
Exact Mass199.04
IUPAC Namepyrimido[1,2-a]benzimidazole-8,9-dione
SMILESO=C1C=Cc2c(nc3ncccn23)C1=O
InChIInChI=1S/C10H5N3O2/c14-7-3-2-6-8(9(7)15)12-10-11-4-1-5-13(6)10/h1-5H
InChIKeyMVOMTFKWVAGQPY-UHFFFAOYSA-N
XLogP0.51
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrimido[1,2-a]benzimidazole-8,9-dione?
The IUPAC name of pyrimido[1,2-a]benzimidazole-8,9-dione (CID 23459861) is pyrimido[1,2-a]benzimidazole-8,9-dione.
What is the SMILES notation for pyrimido[1,2-a]benzimidazole-8,9-dione?
The canonical SMILES for pyrimido[1,2-a]benzimidazole-8,9-dione is O=C1C=Cc2c(nc3ncccn23)C1=O.
What is the InChIKey of pyrimido[1,2-a]benzimidazole-8,9-dione?
The InChIKey is MVOMTFKWVAGQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O2/c14-7-3-2-6-8(9(7)15)12-10-11-4-1-5-13(6)10/h1-5H.
What are the key properties of pyrimido[1,2-a]benzimidazole-8,9-dione?
pyrimido[1,2-a]benzimidazole-8,9-dione has a molecular weight of 199.17 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[1,2-a]benzimidazole-8,9-dione is sourced from PubChem (CID 23459861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).