3-pyridin-2-yl-1H-imidazol-2-one

C8H7N3O — CID 130008445

IUPAC3-pyridin-2-yl-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccccn1
InChIInChI=1S/C8H7N3O/c12-8-10-5-6-11(8)7-3-1-2-4-9-7/h1-6H,(H,10,12)
InChIKeyGDERTSDYCOIBFT-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.56
Rot. Bonds1

About 3-pyridin-2-yl-1H-imidazol-2-one

3-pyridin-2-yl-1H-imidazol-2-one (PubChem CID 130008445) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-pyridin-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-pyridin-2-yl-1H-imidazol-2-one
PubChem CID130008445
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name3-pyridin-2-yl-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1ccccn1
InChIInChI=1S/C8H7N3O/c12-8-10-5-6-11(8)7-3-1-2-4-9-7/h1-6H,(H,10,12)
InChIKeyGDERTSDYCOIBFT-UHFFFAOYSA-N
XLogP0.56
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1H-imidazol-2-one?
The IUPAC name of 3-pyridin-2-yl-1H-imidazol-2-one (CID 130008445) is 3-pyridin-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-pyridin-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3-pyridin-2-yl-1H-imidazol-2-one is O=c1[nH]ccn1-c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-1H-imidazol-2-one?
The InChIKey is GDERTSDYCOIBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-8-10-5-6-11(8)7-3-1-2-4-9-7/h1-6H,(H,10,12).
What are the key properties of 3-pyridin-2-yl-1H-imidazol-2-one?
3-pyridin-2-yl-1H-imidazol-2-one has a molecular weight of 161.16 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 130008445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).