3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one

C13H19N3O — CID 155427728

IUPAC3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCC(C)n1c(=O)[nH]c2ccc(C(C)C)nc21
InChIInChI=1S/C13H19N3O/c1-5-9(4)16-12-11(15-13(16)17)7-6-10(14-12)8(2)3/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyMURKZHULMFTUGS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.82
Rot. Bonds3

About 3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one

3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 155427728) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID155427728
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCC(C)n1c(=O)[nH]c2ccc(C(C)C)nc21
InChIInChI=1S/C13H19N3O/c1-5-9(4)16-12-11(15-13(16)17)7-6-10(14-12)8(2)3/h6-9H,5H2,1-4H3,(H,15,17)
InChIKeyMURKZHULMFTUGS-UHFFFAOYSA-N
XLogP2.82
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one (CID 155427728) is 3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one is CCC(C)n1c(=O)[nH]c2ccc(C(C)C)nc21.
What is the InChIKey of 3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is MURKZHULMFTUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-9(4)16-12-11(15-13(16)17)7-6-10(14-12)8(2)3/h6-9H,5H2,1-4H3,(H,15,17).
What are the key properties of 3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one?
3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-5-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 155427728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).