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

C23H24N2O3 — CID 14119998

IUPACethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1=C2N(Cc3ccccc3)CCN2C(=O)CC1c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-2-28-23(27)21-19(18-11-7-4-8-12-18)15-20(26)25-14-13-24(22(21)25)16-17-9-5-3-6-10-17/h3-12,19H,2,13-16H2,1H3
InChIKeyXVNGKGMDGAFIFR-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.29
Rot. Bonds5

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

ethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 14119998) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID14119998
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Nameethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1=C2N(Cc3ccccc3)CCN2C(=O)CC1c1ccccc1
InChIInChI=1S/C23H24N2O3/c1-2-28-23(27)21-19(18-11-7-4-8-12-18)15-20(26)25-14-13-24(22(21)25)16-17-9-5-3-6-10-17/h3-12,19H,2,13-16H2,1H3
InChIKeyXVNGKGMDGAFIFR-UHFFFAOYSA-N
XLogP3.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.29
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-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate (CID 14119998) is ethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)C1=C2N(Cc3ccccc3)CCN2C(=O)CC1c1ccccc1.
What is the InChIKey of ethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is XVNGKGMDGAFIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-2-28-23(27)21-19(18-11-7-4-8-12-18)15-20(26)25-14-13-24(22(21)25)16-17-9-5-3-6-10-17/h3-12,19H,2,13-16H2,1H3.
What are the key properties of ethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate?
ethyl 1-benzyl-5-oxo-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 3.29, 5 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-7-phenyl-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 14119998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).