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

C9H11N3O — CID 3682854

IUPAC1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCC(C)n1c(=O)[nH]c2cnccc21
InChIInChI=1S/C9H11N3O/c1-6(2)12-8-3-4-10-5-7(8)11-9(12)13/h3-6H,1-2H3,(H,11,13)
InChIKeySWQWCISGBJNYFW-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.31
Rot. Bonds1

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

1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 3682854) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID3682854
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one
SMILESCC(C)n1c(=O)[nH]c2cnccc21
InChIInChI=1S/C9H11N3O/c1-6(2)12-8-3-4-10-5-7(8)11-9(12)13/h3-6H,1-2H3,(H,11,13)
InChIKeySWQWCISGBJNYFW-UHFFFAOYSA-N
XLogP1.31
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one (CID 3682854) is 1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one is CC(C)n1c(=O)[nH]c2cnccc21.
What is the InChIKey of 1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is SWQWCISGBJNYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6(2)12-8-3-4-10-5-7(8)11-9(12)13/h3-6H,1-2H3,(H,11,13).
What are the key properties of 1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one?
1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 177.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 3682854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).