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

C12H14FN3O — CID 169489612

IUPAC6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one
SMILESO=C1NC2CNC(c3ccc(F)cc3)CC2N1
InChIInChI=1S/C12H14FN3O/c13-8-3-1-7(2-4-8)9-5-10-11(6-14-9)16-12(17)15-10/h1-4,9-11,14H,5-6H2,(H2,15,16,17)
InChIKeyOZHOVQSFTJETGY-UHFFFAOYSA-N
MW235.26 g/mol
LogP0.91
Rot. Bonds1

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

6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one (PubChem CID 169489612) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one
PubChem CID169489612
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one
SMILESO=C1NC2CNC(c3ccc(F)cc3)CC2N1
InChIInChI=1S/C12H14FN3O/c13-8-3-1-7(2-4-8)9-5-10-11(6-14-9)16-12(17)15-10/h1-4,9-11,14H,5-6H2,(H2,15,16,17)
InChIKeyOZHOVQSFTJETGY-UHFFFAOYSA-N
XLogP0.91
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one (CID 169489612) is 6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one is O=C1NC2CNC(c3ccc(F)cc3)CC2N1.
What is the InChIKey of 6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one?
The InChIKey is OZHOVQSFTJETGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-8-3-1-7(2-4-8)9-5-10-11(6-14-9)16-12(17)15-10/h1-4,9-11,14H,5-6H2,(H2,15,16,17).
What are the key properties of 6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one?
6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one has a molecular weight of 235.26 g/mol, XLogP of 0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 169489612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).