1-butyl-5H-imidazo[4,5-c]pyridin-4-one

C10H13N3O — CID 15366262

IUPAC1-butyl-5H-imidazo[4,5-c]pyridin-4-one
SMILESCCCCn1cnc2c(=O)[nH]ccc21
InChIInChI=1S/C10H13N3O/c1-2-3-6-13-7-12-9-8(13)4-5-11-10(9)14/h4-5,7H,2-3,6H2,1H3,(H,11,14)
InChIKeyINPJFRYELBEBBW-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.52
Rot. Bonds3

About 1-butyl-5H-imidazo[4,5-c]pyridin-4-one

1-butyl-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 15366262) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-butyl-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name1-butyl-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID15366262
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-butyl-5H-imidazo[4,5-c]pyridin-4-one
SMILESCCCCn1cnc2c(=O)[nH]ccc21
InChIInChI=1S/C10H13N3O/c1-2-3-6-13-7-12-9-8(13)4-5-11-10(9)14/h4-5,7H,2-3,6H2,1H3,(H,11,14)
InChIKeyINPJFRYELBEBBW-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 1-butyl-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 1-butyl-5H-imidazo[4,5-c]pyridin-4-one (CID 15366262) is 1-butyl-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 1-butyl-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 1-butyl-5H-imidazo[4,5-c]pyridin-4-one is CCCCn1cnc2c(=O)[nH]ccc21.
What is the InChIKey of 1-butyl-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is INPJFRYELBEBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-3-6-13-7-12-9-8(13)4-5-11-10(9)14/h4-5,7H,2-3,6H2,1H3,(H,11,14).
What are the key properties of 1-butyl-5H-imidazo[4,5-c]pyridin-4-one?
1-butyl-5H-imidazo[4,5-c]pyridin-4-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 1-butyl-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 15366262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).