1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one

C18H19N5O — CID 71731166

IUPAC1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1nc2ncccc2n1Cc1ccccc1
InChIInChI=1S/C18H19N5O/c24-17-11-19-9-10-22(17)13-16-21-18-15(7-4-8-20-18)23(16)12-14-5-2-1-3-6-14/h1-8,19H,9-13H2
InChIKeyQAIUVMZRGJNNOY-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.41
Rot. Bonds4

About 1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one

1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one (PubChem CID 71731166) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one
PubChem CID71731166
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1nc2ncccc2n1Cc1ccccc1
InChIInChI=1S/C18H19N5O/c24-17-11-19-9-10-22(17)13-16-21-18-15(7-4-8-20-18)23(16)12-14-5-2-1-3-6-14/h1-8,19H,9-13H2
InChIKeyQAIUVMZRGJNNOY-UHFFFAOYSA-N
XLogP1.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one?
The IUPAC name of 1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one (CID 71731166) is 1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one is O=C1CNCCN1Cc1nc2ncccc2n1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one?
The InChIKey is QAIUVMZRGJNNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17-11-19-9-10-22(17)13-16-21-18-15(7-4-8-20-18)23(16)12-14-5-2-1-3-6-14/h1-8,19H,9-13H2.
What are the key properties of 1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one?
1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one has a molecular weight of 321.38 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazo[4,5-b]pyridin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 71731166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).