1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one

C12H15N3O — CID 115616696

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
SMILESCCn1ccnc1Cn1cccc(C)c1=O
InChIInChI=1S/C12H15N3O/c1-3-14-8-6-13-11(14)9-15-7-4-5-10(2)12(15)16/h4-8H,3,9H2,1-2H3
InChIKeyYFGMLTATDDGUPI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.42
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one

1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one (PubChem CID 115616696) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
PubChem CID115616696
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
SMILESCCn1ccnc1Cn1cccc(C)c1=O
InChIInChI=1S/C12H15N3O/c1-3-14-8-6-13-11(14)9-15-7-4-5-10(2)12(15)16/h4-8H,3,9H2,1-2H3
InChIKeyYFGMLTATDDGUPI-UHFFFAOYSA-N
XLogP1.42
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
CID 116620242
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
1-[(1-ethylimidazol-2-yl)methyl]pyrrole-2-carbonitrile
CID 114652741
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]propan-2-amine
CID 66402190
1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]-N-methylethanamine
CID 79102946
3-methyl-1-[(1-propyltetrazol-5-yl)methyl]pyridin-2-one
CID 100671620
1-[(1-ethylimidazol-2-yl)methyl]indole
CID 63811583
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
ethane;3-methyl-1-propylpyridin-2-one
CID 177013538
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66402830
1-[(2-hydrazinyl-3-pyridinyl)methyl]-3-methylpyridin-2-one
CID 63172479
3-[(1-ethylimidazol-2-yl)methyl]-1-methylpyrimidine-2,4-dione
CID 63810772

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one (CID 115616696) is 1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one is CCn1ccnc1Cn1cccc(C)c1=O.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one?
The InChIKey is YFGMLTATDDGUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-14-8-6-13-11(14)9-15-7-4-5-10(2)12(15)16/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one?
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 115616696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).