4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate

C11H6N3O3- — CID 2311321

IUPAC4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate
SMILESO=C([O-])c1cnc2[nH]c3ccccc3n2c1=O
InChIInChI=1S/C11H7N3O3/c15-9-6(10(16)17)5-12-11-13-7-3-1-2-4-8(7)14(9)11/h1-5H,(H,12,13)(H,16,17)/p-1
InChIKeyMEOBJJZNXULJDE-UHFFFAOYSA-M
MW228.19 g/mol
LogP-0.46
Rot. Bonds1

About 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate

4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate (PubChem CID 2311321) has the molecular formula C11H6N3O3- and a molecular weight of 228.19 g/mol. Its IUPAC name is 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate.

Molecular Properties

Compound Name4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate
PubChem CID2311321
Molecular FormulaC11H6N3O3-
Molecular Weight228.19 g/mol
Exact Mass228.04
IUPAC Name4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate
SMILESO=C([O-])c1cnc2[nH]c3ccccc3n2c1=O
InChIInChI=1S/C11H7N3O3/c15-9-6(10(16)17)5-12-11-13-7-3-1-2-4-8(7)14(9)11/h1-5H,(H,12,13)(H,16,17)/p-1
InChIKeyMEOBJJZNXULJDE-UHFFFAOYSA-M
XLogP-0.46
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate?
The IUPAC name of 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate (CID 2311321) is 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate.
What is the SMILES notation for 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate?
The canonical SMILES for 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate is O=C([O-])c1cnc2[nH]c3ccccc3n2c1=O.
What is the InChIKey of 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate?
The InChIKey is MEOBJJZNXULJDE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H7N3O3/c15-9-6(10(16)17)5-12-11-13-7-3-1-2-4-8(7)14(9)11/h1-5H,(H,12,13)(H,16,17)/p-1.
What are the key properties of 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate?
4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate has a molecular weight of 228.19 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-10H-pyrimido[1,2-a]benzimidazole-3-carboxylate is sourced from PubChem (CID 2311321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).