2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one

C11H15N3O — CID 142544795

IUPAC2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one
SMILESCCC(C)(C)c1nc2[nH]c(=O)ccc2[nH]1
InChIInChI=1S/C11H15N3O/c1-4-11(2,3)10-12-7-5-6-8(15)13-9(7)14-10/h5-6H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyDMHPGHPEQLZNFN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.94
Rot. Bonds2

About 2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one

2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one (PubChem CID 142544795) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one
PubChem CID142544795
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one
SMILESCCC(C)(C)c1nc2[nH]c(=O)ccc2[nH]1
InChIInChI=1S/C11H15N3O/c1-4-11(2,3)10-12-7-5-6-8(15)13-9(7)14-10/h5-6H,4H2,1-3H3,(H2,12,13,14,15)
InChIKeyDMHPGHPEQLZNFN-UHFFFAOYSA-N
XLogP1.94
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one?
The IUPAC name of 2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one (CID 142544795) is 2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one is CCC(C)(C)c1nc2[nH]c(=O)ccc2[nH]1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one?
The InChIKey is DMHPGHPEQLZNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-4-11(2,3)10-12-7-5-6-8(15)13-9(7)14-10/h5-6H,4H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one?
2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one has a molecular weight of 205.26 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-1,4-dihydroimidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 142544795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).