2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol

C12H17N3O2 — CID 54879710

IUPAC2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol
SMILESCCN(CCO)c1nc2ccccn2c1CO
InChIInChI=1S/C12H17N3O2/c1-2-14(7-8-16)12-10(9-17)15-6-4-3-5-11(15)13-12/h3-6,16-17H,2,7-9H2,1H3
InChIKeyOSWQWQOFLFJKAA-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.65
Rot. Bonds5

About 2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol

2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol (PubChem CID 54879710) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol
PubChem CID54879710
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol
SMILESCCN(CCO)c1nc2ccccn2c1CO
InChIInChI=1S/C12H17N3O2/c1-2-14(7-8-16)12-10(9-17)15-6-4-3-5-11(15)13-12/h3-6,16-17H,2,7-9H2,1H3
InChIKeyOSWQWQOFLFJKAA-UHFFFAOYSA-N
XLogP0.65
TPSA61.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol?
The IUPAC name of 2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol (CID 54879710) is 2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol is CCN(CCO)c1nc2ccccn2c1CO.
What is the InChIKey of 2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol?
The InChIKey is OSWQWQOFLFJKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-14(7-8-16)12-10(9-17)15-6-4-3-5-11(15)13-12/h3-6,16-17H,2,7-9H2,1H3.
What are the key properties of 2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol?
2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol has a molecular weight of 235.29 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]amino]ethanol is sourced from PubChem (CID 54879710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).