N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide

C16H16F3N3O2 — CID 56742089

IUPACN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1cnc2n1CCCC2)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)10-24-12-5-3-4-11(8-12)15(23)21-14-9-20-13-6-1-2-7-22(13)14/h3-5,8-9H,1-2,6-7,10H2,(H,21,23)
InChIKeyAJSRPILIQFVVEL-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.41
Rot. Bonds4

About N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide

N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 56742089) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide
PubChem CID56742089
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC NameN-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(Nc1cnc2n1CCCC2)c1cccc(OCC(F)(F)F)c1
InChIInChI=1S/C16H16F3N3O2/c17-16(18,19)10-24-12-5-3-4-11(8-12)15(23)21-14-9-20-13-6-1-2-7-22(13)14/h3-5,8-9H,1-2,6-7,10H2,(H,21,23)
InChIKeyAJSRPILIQFVVEL-UHFFFAOYSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide (CID 56742089) is N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide is O=C(Nc1cnc2n1CCCC2)c1cccc(OCC(F)(F)F)c1.
What is the InChIKey of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is AJSRPILIQFVVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c17-16(18,19)10-24-12-5-3-4-11(8-12)15(23)21-14-9-20-13-6-1-2-7-22(13)14/h3-5,8-9H,1-2,6-7,10H2,(H,21,23).
What are the key properties of N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide?
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 339.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 56742089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).