2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one

C13H18N2O — CID 59533486

IUPAC2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESCC(C)c1cc(=O)n2cc(C(C)C)[nH]c2c1
InChIInChI=1S/C13H18N2O/c1-8(2)10-5-12-14-11(9(3)4)7-15(12)13(16)6-10/h5-9,14H,1-4H3
InChIKeyWPFXLSFVAOYXTJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.87
Rot. Bonds2

About 2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one

2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 59533486) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID59533486
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one
SMILESCC(C)c1cc(=O)n2cc(C(C)C)[nH]c2c1
InChIInChI=1S/C13H18N2O/c1-8(2)10-5-12-14-11(9(3)4)7-15(12)13(16)6-10/h5-9,14H,1-4H3
InChIKeyWPFXLSFVAOYXTJ-UHFFFAOYSA-N
XLogP2.87
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one (CID 59533486) is 2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one is CC(C)c1cc(=O)n2cc(C(C)C)[nH]c2c1.
What is the InChIKey of 2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is WPFXLSFVAOYXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(2)10-5-12-14-11(9(3)4)7-15(12)13(16)6-10/h5-9,14H,1-4H3.
What are the key properties of 2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one?
2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 218.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-di(propan-2-yl)-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 59533486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).