6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one

C19H21N3O2 — CID 169489670

IUPAC6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one
SMILESO=C1NC2CC(c3ccccc3OCc3ccccc3)CNC2N1
InChIInChI=1S/C19H21N3O2/c23-19-21-16-10-14(11-20-18(16)22-19)15-8-4-5-9-17(15)24-12-13-6-2-1-3-7-13/h1-9,14,16,18,20H,10-12H2,(H2,21,22,23)
InChIKeySTFFOZOOGDDZOJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.35
Rot. Bonds4

About 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one

6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one (PubChem CID 169489670) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one
PubChem CID169489670
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one
SMILESO=C1NC2CC(c3ccccc3OCc3ccccc3)CNC2N1
InChIInChI=1S/C19H21N3O2/c23-19-21-16-10-14(11-20-18(16)22-19)15-8-4-5-9-17(15)24-12-13-6-2-1-3-7-13/h1-9,14,16,18,20H,10-12H2,(H2,21,22,23)
InChIKeySTFFOZOOGDDZOJ-UHFFFAOYSA-N
XLogP2.35
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one (CID 169489670) is 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one is O=C1NC2CC(c3ccccc3OCc3ccccc3)CNC2N1.
What is the InChIKey of 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is STFFOZOOGDDZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19-21-16-10-14(11-20-18(16)22-19)15-8-4-5-9-17(15)24-12-13-6-2-1-3-7-13/h1-9,14,16,18,20H,10-12H2,(H2,21,22,23).
What are the key properties of 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one?
6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylmethoxyphenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 169489670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).