5-(1H-imidazol-2-yl)-1H-pyridin-2-one

C8H7N3O — CID 135978019

IUPAC5-(1H-imidazol-2-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2ncc[nH]2)c[nH]1
InChIInChI=1S/C8H7N3O/c12-7-2-1-6(5-11-7)8-9-3-4-10-8/h1-5H,(H,9,10)(H,11,12)
InChIKeySQQCCGXHBOVCDT-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.76
Rot. Bonds1

About 5-(1H-imidazol-2-yl)-1H-pyridin-2-one

5-(1H-imidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135978019) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-1H-pyridin-2-one
PubChem CID135978019
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name5-(1H-imidazol-2-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2ncc[nH]2)c[nH]1
InChIInChI=1S/C8H7N3O/c12-7-2-1-6(5-11-7)8-9-3-4-10-8/h1-5H,(H,9,10)(H,11,12)
InChIKeySQQCCGXHBOVCDT-UHFFFAOYSA-N
XLogP0.76
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(1H-imidazol-2-yl)-1H-pyridin-2-one (CID 135978019) is 5-(1H-imidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1H-imidazol-2-yl)-1H-pyridin-2-one is O=c1ccc(-c2ncc[nH]2)c[nH]1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is SQQCCGXHBOVCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-7-2-1-6(5-11-7)8-9-3-4-10-8/h1-5H,(H,9,10)(H,11,12).
What are the key properties of 5-(1H-imidazol-2-yl)-1H-pyridin-2-one?
5-(1H-imidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 161.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135978019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).