1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one

C13H11N3O — CID 4153551

IUPAC1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2ncc(-c3ccccc3)cc21
InChIInChI=1S/C13H11N3O/c1-16-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(16)17/h2-8H,1H3,(H,14,15,17)
InChIKeyPDYMCBRGMDRAPX-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.93
Rot. Bonds1

About 1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one

1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 4153551) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID4153551
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)[nH]c2ncc(-c3ccccc3)cc21
InChIInChI=1S/C13H11N3O/c1-16-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(16)17/h2-8H,1H3,(H,14,15,17)
InChIKeyPDYMCBRGMDRAPX-UHFFFAOYSA-N
XLogP1.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one (CID 4153551) is 1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one is Cn1c(=O)[nH]c2ncc(-c3ccccc3)cc21.
What is the InChIKey of 1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PDYMCBRGMDRAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-16-11-7-10(9-5-3-2-4-6-9)8-14-12(11)15-13(16)17/h2-8H,1H3,(H,14,15,17).
What are the key properties of 1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one?
1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 225.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-phenyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 4153551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).