ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate

C18H17ClN2O2 — CID 68619913

IUPACethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(Cl)c2)c2nc(C)c(C)n2c1
InChIInChI=1S/C18H17ClN2O2/c1-4-23-18(22)14-9-16(13-6-5-7-15(19)8-13)17-20-11(2)12(3)21(17)10-14/h5-10H,4H2,1-3H3
InChIKeyGKBWBQMNBJCXFC-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.45
Rot. Bonds3

About ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate

ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 68619913) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID68619913
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Nameethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(Cl)c2)c2nc(C)c(C)n2c1
InChIInChI=1S/C18H17ClN2O2/c1-4-23-18(22)14-9-16(13-6-5-7-15(19)8-13)17-20-11(2)12(3)21(17)10-14/h5-10H,4H2,1-3H3
InChIKeyGKBWBQMNBJCXFC-UHFFFAOYSA-N
XLogP4.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate (CID 68619913) is ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)c1cc(-c2cccc(Cl)c2)c2nc(C)c(C)n2c1.
What is the InChIKey of ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is GKBWBQMNBJCXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-4-23-18(22)14-9-16(13-6-5-7-15(19)8-13)17-20-11(2)12(3)21(17)10-14/h5-10H,4H2,1-3H3.
What are the key properties of ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate?
ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 328.80 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(3-chlorophenyl)-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 68619913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).