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

C20H11Cl3N2O2 — CID 69411884

IUPAC8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2c1
InChIInChI=1S/C20H11Cl3N2O2/c21-13-7-5-11(6-8-13)17-18(14-3-1-2-4-15(14)22)25-10-12(20(26)27)9-16(23)19(25)24-17/h1-10H,(H,26,27)
InChIKeyQSMTVEONSLOXTD-UHFFFAOYSA-N
MW417.68 g/mol
LogP6.33
Rot. Bonds3

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

8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 69411884) has the molecular formula C20H11Cl3N2O2 and a molecular weight of 417.68 g/mol. Its IUPAC name is 8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID69411884
Molecular FormulaC20H11Cl3N2O2
Molecular Weight417.68 g/mol
Exact Mass415.99
IUPAC Name8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(Cl)c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2c1
InChIInChI=1S/C20H11Cl3N2O2/c21-13-7-5-11(6-8-13)17-18(14-3-1-2-4-15(14)22)25-10-12(20(26)27)9-16(23)19(25)24-17/h1-10H,(H,26,27)
InChIKeyQSMTVEONSLOXTD-UHFFFAOYSA-N
XLogP6.33
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 69411884) is 8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid is O=C(O)c1cc(Cl)c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2c1.
What is the InChIKey of 8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is QSMTVEONSLOXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl3N2O2/c21-13-7-5-11(6-8-13)17-18(14-3-1-2-4-15(14)22)25-10-12(20(26)27)9-16(23)19(25)24-17/h1-10H,(H,26,27).
What are the key properties of 8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid?
8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 417.68 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 69411884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).