4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one

C12H15N3O2 — CID 54710226

IUPAC4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCCn1ccnc1
InChIInChI=1S/C12H15N3O2/c1-10-7-11(16)8-12(17)15(10)5-2-4-14-6-3-13-9-14/h3,6-9,16H,2,4-5H2,1H3
InChIKeyUZMSSHDYOATFFG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.15
Rot. Bonds4

About 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one

4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one (PubChem CID 54710226) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one
PubChem CID54710226
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1CCCn1ccnc1
InChIInChI=1S/C12H15N3O2/c1-10-7-11(16)8-12(17)15(10)5-2-4-14-6-3-13-9-14/h3,6-9,16H,2,4-5H2,1H3
InChIKeyUZMSSHDYOATFFG-UHFFFAOYSA-N
XLogP1.15
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one?
The IUPAC name of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one (CID 54710226) is 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1CCCn1ccnc1.
What is the InChIKey of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one?
The InChIKey is UZMSSHDYOATFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-10-7-11(16)8-12(17)15(10)5-2-4-14-6-3-13-9-14/h3,6-9,16H,2,4-5H2,1H3.
What are the key properties of 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one?
4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-imidazol-1-ylpropyl)-6-methylpyridin-2-one is sourced from PubChem (CID 54710226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).