3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol

C14H16N2O2 — CID 117153662

IUPAC3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol
SMILESOCC1CCc2nc(-c3cccc(O)c3)cn2C1
InChIInChI=1S/C14H16N2O2/c17-9-10-4-5-14-15-13(8-16(14)7-10)11-2-1-3-12(18)6-11/h1-3,6,8,10,17-18H,4-5,7,9H2
InChIKeyFLSHYUVFDOGBJM-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.81
Rot. Bonds2

About 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol

3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 117153662) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID117153662
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol
SMILESOCC1CCc2nc(-c3cccc(O)c3)cn2C1
InChIInChI=1S/C14H16N2O2/c17-9-10-4-5-14-15-13(8-16(14)7-10)11-2-1-3-12(18)6-11/h1-3,6,8,10,17-18H,4-5,7,9H2
InChIKeyFLSHYUVFDOGBJM-UHFFFAOYSA-N
XLogP1.81
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol (CID 117153662) is 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol is OCC1CCc2nc(-c3cccc(O)c3)cn2C1.
What is the InChIKey of 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is FLSHYUVFDOGBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-9-10-4-5-14-15-13(8-16(14)7-10)11-2-1-3-12(18)6-11/h1-3,6,8,10,17-18H,4-5,7,9H2.
What are the key properties of 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol?
3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 244.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 117153662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).