1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one

C12H14N2O — CID 162419327

IUPAC1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc2ccccn12
InChIInChI=1S/C12H14N2O/c1-12(2,3)11(15)9-8-13-10-6-4-5-7-14(9)10/h4-8H,1-3H3
InChIKeyUZAONUAQUUMGRD-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.56
Rot. Bonds1

About 1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one

1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one (PubChem CID 162419327) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one
PubChem CID162419327
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc2ccccn12
InChIInChI=1S/C12H14N2O/c1-12(2,3)11(15)9-8-13-10-6-4-5-7-14(9)10/h4-8H,1-3H3
InChIKeyUZAONUAQUUMGRD-UHFFFAOYSA-N
XLogP2.56
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one?
The IUPAC name of 1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one (CID 162419327) is 1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cnc2ccccn12.
What is the InChIKey of 1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one?
The InChIKey is UZAONUAQUUMGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2,3)11(15)9-8-13-10-6-4-5-7-14(9)10/h4-8H,1-3H3.
What are the key properties of 1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one?
1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one has a molecular weight of 202.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one is sourced from PubChem (CID 162419327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).