3-butyl-1H-imidazo[4,5-b]pyridin-2-one

C10H13N3O — CID 134794466

IUPAC3-butyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCn1c(=O)[nH]c2cccnc21
InChIInChI=1S/C10H13N3O/c1-2-3-7-13-9-8(12-10(13)14)5-4-6-11-9/h4-6H,2-3,7H2,1H3,(H,12,14)
InChIKeySTFXUNQZZNOPOA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.52
Rot. Bonds3

About 3-butyl-1H-imidazo[4,5-b]pyridin-2-one

3-butyl-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134794466) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-butyl-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-butyl-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID134794466
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-butyl-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCCCn1c(=O)[nH]c2cccnc21
InChIInChI=1S/C10H13N3O/c1-2-3-7-13-9-8(12-10(13)14)5-4-6-11-9/h4-6H,2-3,7H2,1H3,(H,12,14)
InChIKeySTFXUNQZZNOPOA-UHFFFAOYSA-N
XLogP1.52
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-butyl-1H-imidazo[4,5-b]pyridin-2-one (CID 134794466) is 3-butyl-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-butyl-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-butyl-1H-imidazo[4,5-b]pyridin-2-one is CCCCn1c(=O)[nH]c2cccnc21.
What is the InChIKey of 3-butyl-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is STFXUNQZZNOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-3-7-13-9-8(12-10(13)14)5-4-6-11-9/h4-6H,2-3,7H2,1H3,(H,12,14).
What are the key properties of 3-butyl-1H-imidazo[4,5-b]pyridin-2-one?
3-butyl-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 191.23 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134794466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).