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

C18H20N2O3 — CID 15356242

IUPACethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C18H20N2O3/c1-3-23-18(22)16-13(2)11-15(21)20-10-9-19(17(16)20)12-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3
InChIKeyBYURJGLGMQJBBR-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.35
Rot. Bonds4

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

ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 15356242) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID15356242
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1c(C)cc(=O)n2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C18H20N2O3/c1-3-23-18(22)16-13(2)11-15(21)20-10-9-19(17(16)20)12-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3
InChIKeyBYURJGLGMQJBBR-UHFFFAOYSA-N
XLogP2.35
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-benzyl-5-oxo-7-phenyl-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
CID 15356243
ethyl 1-benzyl-5-methyl-2,3-dihydropyrrole-4-carboxylate
CID 15193205
diethyl 1-[(2-chlorophenyl)methyl]-6-oxo-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine-7,9-dicarboxylate
CID 71823805
ethyl (5S)-4-benzyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene-12-carboxylate
CID 1207854
1-benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyridin-5-one
CID 12504342
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 4-benzoyl-1-benzyl-2,5-dimethylpyrrole-3-carboxylate
CID 10451241
1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 3620214
ethyl 3-benzyl-2-methyl-4-oxoindeno[2,1-b]pyrrole-1-carboxylate
CID 14341438
ethyl 1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 123926319
ethyl 1-benzyl-6-oxopyridazine-4-carboxylate
CID 118938057
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate (CID 15356242) is ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1c(C)cc(=O)n2c1N(Cc1ccccc1)CC2.
What is the InChIKey of ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is BYURJGLGMQJBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-18(22)16-13(2)11-15(21)20-10-9-19(17(16)20)12-14-7-5-4-6-8-14/h4-8,11H,3,9-10,12H2,1-2H3.
What are the key properties of ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-7-methyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 15356242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).