5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C13H8F3N3O — CID 14687902

IUPAC5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccccc3)cc(C(F)(F)F)c2[nH]1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-6-9(7-4-2-1-3-5-7)17-11-10(8)18-12(20)19-11/h1-6H,(H2,17,18,19,20)
InChIKeyYBCZVHHWZHDSHG-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.94
Rot. Bonds1

About 5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one

5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 14687902) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID14687902
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(-c3ccccc3)cc(C(F)(F)F)c2[nH]1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-6-9(7-4-2-1-3-5-7)17-11-10(8)18-12(20)19-11/h1-6H,(H2,17,18,19,20)
InChIKeyYBCZVHHWZHDSHG-UHFFFAOYSA-N
XLogP2.94
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 14687902) is 5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is O=c1[nH]c2nc(-c3ccccc3)cc(C(F)(F)F)c2[nH]1.
What is the InChIKey of 5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is YBCZVHHWZHDSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)8-6-9(7-4-2-1-3-5-7)17-11-10(8)18-12(20)19-11/h1-6H,(H2,17,18,19,20).
What are the key properties of 5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 279.22 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(trifluoromethyl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 14687902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).