1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one

C11H11N3O — CID 174454423

IUPAC1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one
SMILESCCC(=O)n1ccnc1-c1ccncc1
InChIInChI=1S/C11H11N3O/c1-2-10(15)14-8-7-13-11(14)9-3-5-12-6-4-9/h3-8H,2H2,1H3
InChIKeyRYYGSOANYNZDHS-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.00
Rot. Bonds2

About 1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one

1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one (PubChem CID 174454423) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one
PubChem CID174454423
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one
SMILESCCC(=O)n1ccnc1-c1ccncc1
InChIInChI=1S/C11H11N3O/c1-2-10(15)14-8-7-13-11(14)9-3-5-12-6-4-9/h3-8H,2H2,1H3
InChIKeyRYYGSOANYNZDHS-UHFFFAOYSA-N
XLogP2.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one (CID 174454423) is 1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one is CCC(=O)n1ccnc1-c1ccncc1.
What is the InChIKey of 1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one?
The InChIKey is RYYGSOANYNZDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-10(15)14-8-7-13-11(14)9-3-5-12-6-4-9/h3-8H,2H2,1H3.
What are the key properties of 1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one?
1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one has a molecular weight of 201.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-4-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 174454423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).