ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate

C44H31BrCl4N4O4 — CID 87820915

IUPACethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2c1.CCOC(=O)c1cccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C22H16BrClN2O2.C22H15Cl3N2O2/c1-2-28-22(27)18-4-3-13-26-20(15-7-11-17(24)12-8-15)19(25-21(18)26)14-5-9-16(23)10-6-14;1-2-29-22(28)14-5-10-19-26-20(13-3-6-15(23)7-4-13)21(27(19)12-14)17-9-8-16(24)11-18(17)25/h3-13H,2H2,1H3;3-12H,2H2,1H3
InChIKeySHDFBZSQXWLRBO-UHFFFAOYSA-N
MW901.47 g/mol
LogP13.07
Rot. Bonds8

About ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate

ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 87820915) has the molecular formula C44H31BrCl4N4O4 and a molecular weight of 901.47 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID87820915
Molecular FormulaC44H31BrCl4N4O4
Molecular Weight901.47 g/mol
Exact Mass898.03
IUPAC Nameethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2c1.CCOC(=O)c1cccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C22H16BrClN2O2.C22H15Cl3N2O2/c1-2-28-22(27)18-4-3-13-26-20(15-7-11-17(24)12-8-15)19(25-21(18)26)14-5-9-16(23)10-6-14;1-2-29-22(28)14-5-10-19-26-20(13-3-6-15(23)7-4-13)21(27(19)12-14)17-9-8-16(24)11-18(17)25/h3-13H,2H2,1H3;3-12H,2H2,1H3
InChIKeySHDFBZSQXWLRBO-UHFFFAOYSA-N
XLogP13.07
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.47
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 87820915) is ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)n2c1.CCOC(=O)c1cccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)nc12.
What is the InChIKey of ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is SHDFBZSQXWLRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrClN2O2.C22H15Cl3N2O2/c1-2-28-22(27)18-4-3-13-26-20(15-7-11-17(24)12-8-15)19(25-21(18)26)14-5-9-16(23)10-6-14;1-2-29-22(28)14-5-10-19-26-20(13-3-6-15(23)7-4-13)21(27(19)12-14)17-9-8-16(24)11-18(17)25/h3-13H,2H2,1H3;3-12H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 901.47 g/mol, XLogP of 13.07, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate;ethyl 2-(4-chlorophenyl)-3-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 87820915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).