3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one

C12H10N4O — CID 3922622

IUPAC3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESNc1ccc(-n2c(=O)[nH]c3cccnc32)cc1
InChIInChI=1S/C12H10N4O/c13-8-3-5-9(6-4-8)16-11-10(15-12(16)17)2-1-7-14-11/h1-7H,13H2,(H,15,17)
InChIKeyVNUVLWXXBXYXNV-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.30
Rot. Bonds1

About 3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one

3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 3922622) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID3922622
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESNc1ccc(-n2c(=O)[nH]c3cccnc32)cc1
InChIInChI=1S/C12H10N4O/c13-8-3-5-9(6-4-8)16-11-10(15-12(16)17)2-1-7-14-11/h1-7H,13H2,(H,15,17)
InChIKeyVNUVLWXXBXYXNV-UHFFFAOYSA-N
XLogP1.30
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 3922622) is 3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one is Nc1ccc(-n2c(=O)[nH]c3cccnc32)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is VNUVLWXXBXYXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-8-3-5-9(6-4-8)16-11-10(15-12(16)17)2-1-7-14-11/h1-7H,13H2,(H,15,17).
What are the key properties of 3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 226.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 3922622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).