4-imidazol-1-yl-1-methylpyridin-2-one

C9H9N3O — CID 20645399

IUPAC4-imidazol-1-yl-1-methylpyridin-2-one
SMILESCn1ccc(-n2ccnc2)cc1=O
InChIInChI=1S/C9H9N3O/c1-11-4-2-8(6-9(11)13)12-5-3-10-7-12/h2-7H,1H3
InChIKeyAOVLITVRUQTEGK-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.57
Rot. Bonds1

About 4-imidazol-1-yl-1-methylpyridin-2-one

4-imidazol-1-yl-1-methylpyridin-2-one (PubChem CID 20645399) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-imidazol-1-yl-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-imidazol-1-yl-1-methylpyridin-2-one
PubChem CID20645399
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name4-imidazol-1-yl-1-methylpyridin-2-one
SMILESCn1ccc(-n2ccnc2)cc1=O
InChIInChI=1S/C9H9N3O/c1-11-4-2-8(6-9(11)13)12-5-3-10-7-12/h2-7H,1H3
InChIKeyAOVLITVRUQTEGK-UHFFFAOYSA-N
XLogP0.57
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((3-(1H-imidazol-1-yl)propyl)amino)-6-methylpyrimidin-4-ol
CID 135611993
1-[4-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]butyl]-3,6-dimethylpyrimidine-2,4-dione
CID 155545245
1-[3-[2-[(E)-hydroxyiminomethyl]imidazol-1-yl]propyl]-3,6-dimethylpyrimidine-2,4-dione
CID 155560736
5-methylimidazo[1,2-a]pyrimidin-7(8H)-one
CID 76849717
2-Methylimidazo[1,5-a]pyrimidin-4(1H)-one
CID 45082880
N-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)-1H-imidazole-1-carboxamide
CID 135733650
1-Methyl-4-(3-methylimidazol-3-ium-1-yl)-6-oxopyrimidin-2-olate
CID 399025
2-imidazol-1-yl-N,N-bis(prop-2-enyl)acetamide
CID 13036586
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-5-fluoropyridin-2-one
CID 99791421
3-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 132374798
3-[(2E,4Z)-1-fluoro-6-(3-imidazol-1-ylpropylamino)hepta-2,4,6-trien-3-yl]-2,6-dimethylpyrimidin-4-one
CID 90051669
7-Methylimidazo[1,2-a]pyrimidin-5(8H)-one
CID 379148

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-1-methylpyridin-2-one?
The IUPAC name of 4-imidazol-1-yl-1-methylpyridin-2-one (CID 20645399) is 4-imidazol-1-yl-1-methylpyridin-2-one.
What is the SMILES notation for 4-imidazol-1-yl-1-methylpyridin-2-one?
The canonical SMILES for 4-imidazol-1-yl-1-methylpyridin-2-one is Cn1ccc(-n2ccnc2)cc1=O.
What is the InChIKey of 4-imidazol-1-yl-1-methylpyridin-2-one?
The InChIKey is AOVLITVRUQTEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-11-4-2-8(6-9(11)13)12-5-3-10-7-12/h2-7H,1H3.
What are the key properties of 4-imidazol-1-yl-1-methylpyridin-2-one?
4-imidazol-1-yl-1-methylpyridin-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-1-methylpyridin-2-one is sourced from PubChem (CID 20645399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).