5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C9H11N3O — CID 118259570

IUPAC5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCC(C)c1ccc2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C9H11N3O/c1-5(2)6-3-4-7-8(10-6)12-9(13)11-7/h3-5H,1-2H3,(H2,10,11,12,13)
InChIKeyFOAKCAKWSXZYJT-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.37
Rot. Bonds1

About 5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 118259570) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID118259570
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCC(C)c1ccc2[nH]c(=O)[nH]c2n1
InChIInChI=1S/C9H11N3O/c1-5(2)6-3-4-7-8(10-6)12-9(13)11-7/h3-5H,1-2H3,(H2,10,11,12,13)
InChIKeyFOAKCAKWSXZYJT-UHFFFAOYSA-N
XLogP1.37
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 118259570) is 5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is CC(C)c1ccc2[nH]c(=O)[nH]c2n1.
What is the InChIKey of 5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is FOAKCAKWSXZYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5(2)6-3-4-7-8(10-6)12-9(13)11-7/h3-5H,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 177.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 118259570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).