[2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol

C13H18N2O3 — CID 46205398

IUPAC[2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol
SMILESCCOC(OCC)c1cn2cccc(CO)c2n1
InChIInChI=1S/C13H18N2O3/c1-3-17-13(18-4-2)11-8-15-7-5-6-10(9-16)12(15)14-11/h5-8,13,16H,3-4,9H2,1-2H3
InChIKeyAAWDETQGKIODLI-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.90
Rot. Bonds6

About [2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol

[2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol (PubChem CID 46205398) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is [2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol
PubChem CID46205398
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name[2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol
SMILESCCOC(OCC)c1cn2cccc(CO)c2n1
InChIInChI=1S/C13H18N2O3/c1-3-17-13(18-4-2)11-8-15-7-5-6-10(9-16)12(15)14-11/h5-8,13,16H,3-4,9H2,1-2H3
InChIKeyAAWDETQGKIODLI-UHFFFAOYSA-N
XLogP1.90
TPSA55.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol?
The IUPAC name of [2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol (CID 46205398) is [2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol.
What is the SMILES notation for [2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol?
The canonical SMILES for [2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol is CCOC(OCC)c1cn2cccc(CO)c2n1.
What is the InChIKey of [2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol?
The InChIKey is AAWDETQGKIODLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-17-13(18-4-2)11-8-15-7-5-6-10(9-16)12(15)14-11/h5-8,13,16H,3-4,9H2,1-2H3.
What are the key properties of [2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol?
[2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol has a molecular weight of 250.30 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethoxymethyl)imidazo[1,2-a]pyridin-8-yl]methanol is sourced from PubChem (CID 46205398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).