2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

C14H14FN3O — CID 53145220

IUPAC2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-2-10(6-11)7-14(19)18-5-4-12-13(8-18)17-9-16-12/h1-3,6,9H,4-5,7-8H2,(H,16,17)
InChIKeyXDYJHYPQNWENIK-UHFFFAOYSA-N
MW259.28 g/mol
LogP1.68
Rot. Bonds2

About 2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 53145220) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID53145220
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCc2nc[nH]c2C1
InChIInChI=1S/C14H14FN3O/c15-11-3-1-2-10(6-11)7-14(19)18-5-4-12-13(8-18)17-9-16-12/h1-3,6,9H,4-5,7-8H2,(H,16,17)
InChIKeyXDYJHYPQNWENIK-UHFFFAOYSA-N
XLogP1.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 53145220) is 2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is O=C(Cc1cccc(F)c1)N1CCc2nc[nH]c2C1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is XDYJHYPQNWENIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-11-3-1-2-10(6-11)7-14(19)18-5-4-12-13(8-18)17-9-16-12/h1-3,6,9H,4-5,7-8H2,(H,16,17).
What are the key properties of 2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 259.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 53145220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).