7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C12H10N4O2 — CID 45140141

IUPAC7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESNc1cccc(Oc2ccnc3[nH]c(=O)[nH]c23)c1
InChIInChI=1S/C12H10N4O2/c13-7-2-1-3-8(6-7)18-9-4-5-14-11-10(9)15-12(17)16-11/h1-6H,13H2,(H2,14,15,16,17)
InChIKeyNXAIFDGHBLODCI-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.63
Rot. Bonds2

About 7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 45140141) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID45140141
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESNc1cccc(Oc2ccnc3[nH]c(=O)[nH]c23)c1
InChIInChI=1S/C12H10N4O2/c13-7-2-1-3-8(6-7)18-9-4-5-14-11-10(9)15-12(17)16-11/h1-6H,13H2,(H2,14,15,16,17)
InChIKeyNXAIFDGHBLODCI-UHFFFAOYSA-N
XLogP1.63
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 45140141) is 7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is Nc1cccc(Oc2ccnc3[nH]c(=O)[nH]c23)c1.
What is the InChIKey of 7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is NXAIFDGHBLODCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-7-2-1-3-8(6-7)18-9-4-5-14-11-10(9)15-12(17)16-11/h1-6H,13H2,(H2,14,15,16,17).
What are the key properties of 7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 242.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-aminophenoxy)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 45140141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).