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

C17H18N2O3 — CID 14119999

IUPACethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1ccc(=O)n2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C17H18N2O3/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/h3-9H,2,10-12H2,1H3
InChIKeyPDXXTWNNSMHBCL-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.05
Rot. Bonds4

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

ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 14119999) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID14119999
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Nameethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1ccc(=O)n2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C17H18N2O3/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/h3-9H,2,10-12H2,1H3
InChIKeyPDXXTWNNSMHBCL-UHFFFAOYSA-N
XLogP2.05
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (E)-3-[4-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methyl]phenyl]prop-2-enoate
CID 5276669
Imidazo(1,2-a)pyrimidine-6-carboxylic acid, 1,2,3,5-tetrahydro-1-methyl-5-oxo-2-phenyl-, ethyl ester
CID 3072201
Ethyl 1-benzyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
CID 14119996
Ethyl 1-benzyl-7-methyl-5-oxo-2,3,6,7-tetrahydroimidazo[1,2-a]pyridine-8-carboxylate
CID 14119997
Diethyl 2-[[4-[benzyl(methyl)amino]-1,3-dimethyl-2,6-dioxopyrimidin-5-yl]methylidene]propanedioate
CID 10812501
methyl (E)-3-[(4S,5S)-1,3-ditert-butyl-2-oxo-5-phenylimidazolidin-4-yl]prop-2-enoate
CID 44472167
tert-butyl (E)-3-(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate
CID 102204780
Methyl-1,6-dihydro-1-(dimethylcarbamoyl)-4-methyl-6-oxo-2-phenyl-3-pyridinecarboxylate
CID 129723592
5-O-ethyl 1-O-methyl (Z,4E)-4-(1-benzylimidazolidin-2-ylidene)pent-2-enedioate
CID 134923543
Ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 171393880
Ethyl 2-amino-1-benzyl-4-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 172654080
ethyl 2-[(4-fluorophenyl)methyl]-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c]pyrimidine-4-carboxylate
CID 15103668

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate (CID 14119999) is ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1ccc(=O)n2c1N(Cc1ccccc1)CC2.
What is the InChIKey of ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is PDXXTWNNSMHBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/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/h3-9H,2,10-12H2,1H3.
What are the key properties of ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate?
ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 298.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-5-oxo-2,3-dihydroimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 14119999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).