[2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol

C12H13BrN2O2 — CID 117157450

IUPAC[2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol
SMILESOCC1CCCn2cc(-c3ccc(Br)o3)nc21
InChIInChI=1S/C12H13BrN2O2/c13-11-4-3-10(17-11)9-6-15-5-1-2-8(7-16)12(15)14-9/h3-4,6,8,16H,1-2,5,7H2
InChIKeyNMMZNYQGYSGSSQ-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.78
Rot. Bonds2

About [2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol

[2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol (PubChem CID 117157450) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is [2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol
PubChem CID117157450
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name[2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol
SMILESOCC1CCCn2cc(-c3ccc(Br)o3)nc21
InChIInChI=1S/C12H13BrN2O2/c13-11-4-3-10(17-11)9-6-15-5-1-2-8(7-16)12(15)14-9/h3-4,6,8,16H,1-2,5,7H2
InChIKeyNMMZNYQGYSGSSQ-UHFFFAOYSA-N
XLogP2.78
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol?
The IUPAC name of [2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol (CID 117157450) is [2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol.
What is the SMILES notation for [2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol?
The canonical SMILES for [2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol is OCC1CCCn2cc(-c3ccc(Br)o3)nc21.
What is the InChIKey of [2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol?
The InChIKey is NMMZNYQGYSGSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c13-11-4-3-10(17-11)9-6-15-5-1-2-8(7-16)12(15)14-9/h3-4,6,8,16H,1-2,5,7H2.
What are the key properties of [2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol?
[2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol has a molecular weight of 297.15 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromofuran-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanol is sourced from PubChem (CID 117157450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).