1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one

C17H16F3N3O — CID 163362316

IUPAC1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one
SMILESCCC(=O)CN1CNc2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H16F3N3O/c1-2-14(24)9-23-10-22-16-15(23)7-12(8-21-16)11-4-3-5-13(6-11)17(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,22)
InChIKeyOIXDGDPCNUSSBX-UHFFFAOYSA-N
MW335.33 g/mol
LogP3.94
Rot. Bonds4

About 1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one

1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one (PubChem CID 163362316) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is 1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one.

Molecular Properties

Compound Name1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one
PubChem CID163362316
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one
SMILESCCC(=O)CN1CNc2ncc(-c3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C17H16F3N3O/c1-2-14(24)9-23-10-22-16-15(23)7-12(8-21-16)11-4-3-5-13(6-11)17(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,22)
InChIKeyOIXDGDPCNUSSBX-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one?
The IUPAC name of 1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one (CID 163362316) is 1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one.
What is the SMILES notation for 1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one?
The canonical SMILES for 1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one is CCC(=O)CN1CNc2ncc(-c3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of 1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one?
The InChIKey is OIXDGDPCNUSSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-2-14(24)9-23-10-22-16-15(23)7-12(8-21-16)11-4-3-5-13(6-11)17(18,19)20/h3-8H,2,9-10H2,1H3,(H,21,22).
What are the key properties of 1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one?
1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one has a molecular weight of 335.33 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]butan-2-one is sourced from PubChem (CID 163362316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).