3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate

C14H22N2O3 — CID 155021831

IUPAC3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCc1nc2n(c1C(=O)OCCCOC)CCCC2
InChIInChI=1S/C14H22N2O3/c1-3-11-13(14(17)19-10-6-9-18-2)16-8-5-4-7-12(16)15-11/h3-10H2,1-2H3
InChIKeyLHOXZEBJHTZPPF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.98
Rot. Bonds6

About 3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate

3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 155021831) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID155021831
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
SMILESCCc1nc2n(c1C(=O)OCCCOC)CCCC2
InChIInChI=1S/C14H22N2O3/c1-3-11-13(14(17)19-10-6-9-18-2)16-8-5-4-7-12(16)15-11/h3-10H2,1-2H3
InChIKeyLHOXZEBJHTZPPF-UHFFFAOYSA-N
XLogP1.98
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of 3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate (CID 155021831) is 3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for 3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for 3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate is CCc1nc2n(c1C(=O)OCCCOC)CCCC2.
What is the InChIKey of 3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is LHOXZEBJHTZPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-11-13(14(17)19-10-6-9-18-2)16-8-5-4-7-12(16)15-11/h3-10H2,1-2H3.
What are the key properties of 3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate?
3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl 2-ethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 155021831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).