1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one

C12H16N4O — CID 82907641

IUPAC1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one
SMILESCNCc1nccn1CCn1ccccc1=O
InChIInChI=1S/C12H16N4O/c1-13-10-11-14-5-7-15(11)8-9-16-6-3-2-4-12(16)17/h2-7,13H,8-10H2,1H3
InChIKeySDQWXAZKMMXAKL-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.46
Rot. Bonds5

About 1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one

1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one (PubChem CID 82907641) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one
PubChem CID82907641
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one
SMILESCNCc1nccn1CCn1ccccc1=O
InChIInChI=1S/C12H16N4O/c1-13-10-11-14-5-7-15(11)8-9-16-6-3-2-4-12(16)17/h2-7,13H,8-10H2,1H3
InChIKeySDQWXAZKMMXAKL-UHFFFAOYSA-N
XLogP0.46
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile
CID 82908033
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one
CID 82907885
N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
CID 62325583
N-methyl-1-[1-(2-propan-2-ylsulfonylethyl)imidazol-2-yl]methanamine
CID 106717648
1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one
CID 82899272
N-methyl-1-[1-[(2-nitrophenyl)methyl]imidazol-2-yl]methanamine
CID 55048706
1-[2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 107741788
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-2-yl]methanamine
CID 66400746
N-methyl-1-[1-[(2-methyltetrazol-5-yl)methyl]imidazol-2-yl]methanamine
CID 107045468
1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82897921
1-(2-ethylphenyl)-N-[(1-propylimidazol-2-yl)methyl]methanamine
CID 64680507

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one (CID 82907641) is 1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one is CNCc1nccn1CCn1ccccc1=O.
What is the InChIKey of 1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one?
The InChIKey is SDQWXAZKMMXAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-13-10-11-14-5-7-15(11)8-9-16-6-3-2-4-12(16)17/h2-7,13H,8-10H2,1H3.
What are the key properties of 1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one?
1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one has a molecular weight of 232.29 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 82907641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).