8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid

C40H22Cl6N4O4 — CID 87820997

IUPAC8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3Cl)n2c1.O=C(O)c1cc(Cl)c2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)n2c1
InChIInChI=1S/2C20H11Cl3N2O2/c21-13-7-5-11(6-8-13)18-17(14-3-1-2-4-15(14)22)24-19-16(23)9-12(20(26)27)10-25(18)19;21-13-6-7-14(15(22)9-13)18-17(11-4-2-1-3-5-11)24-19-16(23)8-12(20(26)27)10-25(18)19/h2*1-10H,(H,26,27)
InChIKeyURYBZHVZOXSAOJ-UHFFFAOYSA-N
MW835.36 g/mol
LogP12.65
Rot. Bonds6

About 8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid

8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 87820997) has the molecular formula C40H22Cl6N4O4 and a molecular weight of 835.36 g/mol. Its IUPAC name is 8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID87820997
Molecular FormulaC40H22Cl6N4O4
Molecular Weight835.36 g/mol
Exact Mass831.98
IUPAC Name8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3Cl)n2c1.O=C(O)c1cc(Cl)c2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)n2c1
InChIInChI=1S/2C20H11Cl3N2O2/c21-13-7-5-11(6-8-13)18-17(14-3-1-2-4-15(14)22)24-19-16(23)9-12(20(26)27)10-25(18)19;21-13-6-7-14(15(22)9-13)18-17(11-4-2-1-3-5-11)24-19-16(23)8-12(20(26)27)10-25(18)19/h2*1-10H,(H,26,27)
InChIKeyURYBZHVZOXSAOJ-UHFFFAOYSA-N
XLogP12.65
TPSA109.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.36
LogP ≤ 512.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid (CID 87820997) is 8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid is O=C(O)c1cc(Cl)c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3Cl)n2c1.O=C(O)c1cc(Cl)c2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)n2c1.
What is the InChIKey of 8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is URYBZHVZOXSAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H11Cl3N2O2/c21-13-7-5-11(6-8-13)18-17(14-3-1-2-4-15(14)22)24-19-16(23)9-12(20(26)27)10-25(18)19;21-13-6-7-14(15(22)9-13)18-17(11-4-2-1-3-5-11)24-19-16(23)8-12(20(26)27)10-25(18)19/h2*1-10H,(H,26,27).
What are the key properties of 8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid?
8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 835.36 g/mol, XLogP of 12.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid;8-chloro-3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 87820997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).