ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate

C18H18N2O4 — CID 102534386

IUPACethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(=O)n2c(c1C(=O)c1ccc(C)cc1)NCC2
InChIInChI=1S/C18H18N2O4/c1-3-24-18(23)13-10-14(21)20-9-8-19-17(20)15(13)16(22)12-6-4-11(2)5-7-12/h4-7,10,19H,3,8-9H2,1-2H3
InChIKeyQRTXKNIHYKZRQG-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.99
Rot. Bonds4

About ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate

ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 102534386) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID102534386
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nameethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1cc(=O)n2c(c1C(=O)c1ccc(C)cc1)NCC2
InChIInChI=1S/C18H18N2O4/c1-3-24-18(23)13-10-14(21)20-9-8-19-17(20)15(13)16(22)12-6-4-11(2)5-7-12/h4-7,10,19H,3,8-9H2,1-2H3
InChIKeyQRTXKNIHYKZRQG-UHFFFAOYSA-N
XLogP1.99
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate (CID 102534386) is ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate is CCOC(=O)c1cc(=O)n2c(c1C(=O)c1ccc(C)cc1)NCC2.
What is the InChIKey of ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is QRTXKNIHYKZRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-3-24-18(23)13-10-14(21)20-9-8-19-17(20)15(13)16(22)12-6-4-11(2)5-7-12/h4-7,10,19H,3,8-9H2,1-2H3.
What are the key properties of ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate?
ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(4-methylbenzoyl)-5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 102534386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).