4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one

C10H8N4O — CID 135616216

IUPAC4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one
SMILESNc1cc(=O)[nH]c2nc3ccccc3n12
InChIInChI=1S/C10H8N4O/c11-8-5-9(15)13-10-12-6-3-1-2-4-7(6)14(8)10/h1-5H,11H2,(H,12,13,15)
InChIKeyICIGGDXLLCGGEW-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.76
Rot. Bonds

About 4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one

4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one (PubChem CID 135616216) has the molecular formula C10H8N4O and a molecular weight of 200.20 g/mol. Its IUPAC name is 4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one.

Molecular Properties

Compound Name4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one
PubChem CID135616216
Molecular FormulaC10H8N4O
Molecular Weight200.20 g/mol
Exact Mass200.07
IUPAC Name4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one
SMILESNc1cc(=O)[nH]c2nc3ccccc3n12
InChIInChI=1S/C10H8N4O/c11-8-5-9(15)13-10-12-6-3-1-2-4-7(6)14(8)10/h1-5H,11H2,(H,12,13,15)
InChIKeyICIGGDXLLCGGEW-UHFFFAOYSA-N
XLogP0.76
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one?
The IUPAC name of 4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one (CID 135616216) is 4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one.
What is the SMILES notation for 4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one?
The canonical SMILES for 4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one is Nc1cc(=O)[nH]c2nc3ccccc3n12.
What is the InChIKey of 4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one?
The InChIKey is ICIGGDXLLCGGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O/c11-8-5-9(15)13-10-12-6-3-1-2-4-7(6)14(8)10/h1-5H,11H2,(H,12,13,15).
What are the key properties of 4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one?
4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one has a molecular weight of 200.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1H-pyrimido[1,2-a]benzimidazol-2-one is sourced from PubChem (CID 135616216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).