ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one

C13H18N2O — CID 145017960

IUPACethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one
SMILESCC.CC(=O)CCc1cnc2ccccn12
InChIInChI=1S/C11H12N2O.C2H6/c1-9(14)5-6-10-8-12-11-4-2-3-7-13(10)11;1-2/h2-4,7-8H,5-6H2,1H3;1-2H3
InChIKeyZPLKYGOZBLKNGI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.88
Rot. Bonds3

About ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one

ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one (PubChem CID 145017960) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Nameethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one
PubChem CID145017960
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Nameethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one
SMILESCC.CC(=O)CCc1cnc2ccccn12
InChIInChI=1S/C11H12N2O.C2H6/c1-9(14)5-6-10-8-12-11-4-2-3-7-13(10)11;1-2/h2-4,7-8H,5-6H2,1H3;1-2H3
InChIKeyZPLKYGOZBLKNGI-UHFFFAOYSA-N
XLogP2.88
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
2-imidazo[1,2-a]pyridin-3-yl-N-methylethanamine
CID 82598866
imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
ethane;3-(2-methylbuta-2,3-dienyl)imidazo[1,2-a]pyridine
CID 145017956
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
imidazo[1,2-a]pyridin-3-ylmethyl(trimethyl)azanium iodide
CID 14602276
1-imidazo[1,2-a]pyridin-3-yl-N-methylmethanamine;hydrate;dihydrochloride
CID 73012288
3-(imidazo[1,2-a]pyridin-3-ylmethylamino)-N-propan-2-ylpropanamide
CID 87021486
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methyl-3-methylsulfonylpropanamide
CID 131897855
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
CID 99837979
4-bromo-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-phenylbutanamide
CID 90570258
methyl 2-(imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)propanoate
CID 86801501

Frequently Asked Questions

What is the IUPAC name of ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one?
The IUPAC name of ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one (CID 145017960) is ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one.
What is the SMILES notation for ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one?
The canonical SMILES for ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one is CC.CC(=O)CCc1cnc2ccccn12.
What is the InChIKey of ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one?
The InChIKey is ZPLKYGOZBLKNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.C2H6/c1-9(14)5-6-10-8-12-11-4-2-3-7-13(10)11;1-2/h2-4,7-8H,5-6H2,1H3;1-2H3.
What are the key properties of ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one?
ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one is sourced from PubChem (CID 145017960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).