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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Related Compounds

Pyridoimidazolone, 29b
CID 42625325
Pyridoimidazolone, 5e
CID 42626193
Pyridoimidazolone, 5h
CID 42626196
Pyridoimidazolone, 5m
CID 42626268
XL844
CID 10016910
Pyridoimidazolone, 5k
CID 42626266
Pyridoimidazolone, 5p
CID 42626338
Pyridoimidazolone, 5r
CID 42626339
Pyridoimidazolone, 5s
CID 42626340
N-(3-methoxyphenyl)-N'-3-pyridinylurea
CID 1297960
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
N-(2-methoxyphenyl)-N'-2-pyrazinylurea
CID 6470803

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).