1-pyridin-4-ylimidazolidin-2-one

C8H9N3O — CID 3746818

IUPAC1-pyridin-4-ylimidazolidin-2-one
SMILESO=C1NCCN1c1ccncc1
InChIInChI=1S/C8H9N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,12)
InChIKeyHKCFTGZESMCKJA-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.61
Rot. Bonds1

About 1-pyridin-4-ylimidazolidin-2-one

1-pyridin-4-ylimidazolidin-2-one (PubChem CID 3746818) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-pyridin-4-ylimidazolidin-2-one
PubChem CID3746818
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name1-pyridin-4-ylimidazolidin-2-one
SMILESO=C1NCCN1c1ccncc1
InChIInChI=1S/C8H9N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,12)
InChIKeyHKCFTGZESMCKJA-UHFFFAOYSA-N
XLogP0.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-pyridin-4-ylimidazolidin-2-one (CID 3746818) is 1-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-pyridin-4-ylimidazolidin-2-one is O=C1NCCN1c1ccncc1.
What is the InChIKey of 1-pyridin-4-ylimidazolidin-2-one?
The InChIKey is HKCFTGZESMCKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c12-8-10-5-6-11(8)7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,12).
What are the key properties of 1-pyridin-4-ylimidazolidin-2-one?
1-pyridin-4-ylimidazolidin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 3746818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).