2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one

C12H16N2O — CID 70845196

IUPAC2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one
SMILESCc1cc(=O)n2cc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C12H16N2O/c1-8-5-10-13-9(12(2,3)4)7-14(10)11(15)6-8/h5-7,13H,1-4H3
InChIKeyJNZMNBAKFOEWGL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.23
Rot. Bonds

About 2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one

2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 70845196) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID70845196
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one
SMILESCc1cc(=O)n2cc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C12H16N2O/c1-8-5-10-13-9(12(2,3)4)7-14(10)11(15)6-8/h5-7,13H,1-4H3
InChIKeyJNZMNBAKFOEWGL-UHFFFAOYSA-N
XLogP2.23
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of 2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one (CID 70845196) is 2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for 2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for 2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one is Cc1cc(=O)n2cc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of 2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is JNZMNBAKFOEWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-5-10-13-9(12(2,3)4)7-14(10)11(15)6-8/h5-7,13H,1-4H3.
What are the key properties of 2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one?
2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 204.27 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-methyl-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 70845196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).