1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone

C17H16N2O2 — CID 14545028

IUPAC1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C17H16N2O2/c1-12-16(13(2)20)19-10-6-9-15(17(19)18-12)21-11-14-7-4-3-5-8-14/h3-10H,11H2,1-2H3
InChIKeyXLBCBGZPFQFICT-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.42
Rot. Bonds4

About 1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone

1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone (PubChem CID 14545028) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone
PubChem CID14545028
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone
SMILESCC(=O)c1c(C)nc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C17H16N2O2/c1-12-16(13(2)20)19-10-6-9-15(17(19)18-12)21-11-14-7-4-3-5-8-14/h3-10H,11H2,1-2H3
InChIKeyXLBCBGZPFQFICT-UHFFFAOYSA-N
XLogP3.42
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone (CID 14545028) is 1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone is CC(=O)c1c(C)nc2c(OCc3ccccc3)cccn12.
What is the InChIKey of 1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone?
The InChIKey is XLBCBGZPFQFICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-16(13(2)20)19-10-6-9-15(17(19)18-12)21-11-14-7-4-3-5-8-14/h3-10H,11H2,1-2H3.
What are the key properties of 1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone?
1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone has a molecular weight of 280.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)ethanone is sourced from PubChem (CID 14545028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).