1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one

C13H17N3O — CID 82907885

IUPAC1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one
SMILESCC(C)c1nccn1CCn1ccccc1=O
InChIInChI=1S/C13H17N3O/c1-11(2)13-14-6-8-16(13)10-9-15-7-4-3-5-12(15)17/h3-8,11H,9-10H2,1-2H3
InChIKeyVVWFGIWNMNWGHE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.87
Rot. Bonds4

About 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one

1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one (PubChem CID 82907885) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one
PubChem CID82907885
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one
SMILESCC(C)c1nccn1CCn1ccccc1=O
InChIInChI=1S/C13H17N3O/c1-11(2)13-14-6-8-16(13)10-9-15-7-4-3-5-12(15)17/h3-8,11H,9-10H2,1-2H3
InChIKeyVVWFGIWNMNWGHE-UHFFFAOYSA-N
XLogP1.87
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 90561293
1-[2-[2-(methylaminomethyl)imidazol-1-yl]ethyl]pyridin-2-one
CID 82907641
1-[2-(2-oxo-1-pyridinyl)ethyl]imidazole-2-carbonitrile
CID 82908033
6-chloro-3-[2-(2-oxo-1-pyridinyl)ethyl]-2-propan-2-ylpyrimidin-4-one
CID 114584994
1-(2-fluoroethyl)-2-propan-2-ylimidazole
CID 80694983
N-[(3S,4S)-1,1-dioxo-4-(2-propan-2-ylimidazol-1-yl)thiolan-3-yl]-3-(2-oxo-1-pyridinyl)propanamide
CID 155919259
1-butyl-2-propan-2-ylimidazole
CID 11506521
N-methyl-3-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 61387413
4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]aniline
CID 43519618
N-(2-aminophenyl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 43198918
1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561202
1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561429

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one (CID 82907885) is 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one is CC(C)c1nccn1CCn1ccccc1=O.
What is the InChIKey of 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one?
The InChIKey is VVWFGIWNMNWGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11(2)13-14-6-8-16(13)10-9-15-7-4-3-5-12(15)17/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one?
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82907885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).