1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone

C10H14N2O — CID 84656552

IUPAC1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1cnc2n1C(C)CCC2
InChIInChI=1S/C10H14N2O/c1-7-4-3-5-10-11-6-9(8(2)13)12(7)10/h6-7H,3-5H2,1-2H3
InChIKeyNMZLIBGZQQYUOX-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.98
Rot. Bonds1

About 1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone

1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 84656552) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID84656552
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1cnc2n1C(C)CCC2
InChIInChI=1S/C10H14N2O/c1-7-4-3-5-10-11-6-9(8(2)13)12(7)10/h6-7H,3-5H2,1-2H3
InChIKeyNMZLIBGZQQYUOX-UHFFFAOYSA-N
XLogP1.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone (CID 84656552) is 1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone is CC(=O)c1cnc2n1C(C)CCC2.
What is the InChIKey of 1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is NMZLIBGZQQYUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-4-3-5-10-11-6-9(8(2)13)12(7)10/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone?
1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 178.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 84656552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).