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

C17H20N2O3 — CID 14119996

IUPACethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1=C2N(Cc3ccccc3)CCN2C(=O)CC1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)14-8-9-15(20)19-11-10-18(16(14)19)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyWRNNTZORPYFCQJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.90
Rot. Bonds4

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

ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 14119996) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID14119996
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1=C2N(Cc3ccccc3)CCN2C(=O)CC1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)14-8-9-15(20)19-11-10-18(16(14)19)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKeyWRNNTZORPYFCQJ-UHFFFAOYSA-N
XLogP1.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate (CID 14119996) is ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)C1=C2N(Cc3ccccc3)CCN2C(=O)CC1.
What is the InChIKey of ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is WRNNTZORPYFCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-22-17(21)14-8-9-15(20)19-11-10-18(16(14)19)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3.
What are the key properties of ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 14119996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).