2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid

C20H13ClN2O3S — CID 58191564

IUPAC2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccccc2n1
InChIInChI=1S/C20H13ClN2O3S/c21-14-6-4-12(5-7-14)19-18(20(25)26)13(11-27-19)9-16(24)15-10-23-8-2-1-3-17(23)22-15/h1-8,10-11H,9H2,(H,25,26)
InChIKeyXTZCTMDWSXTLOS-UHFFFAOYSA-N
MW396.86 g/mol
LogP4.84
Rot. Bonds5

About 2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid

2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid (PubChem CID 58191564) has the molecular formula C20H13ClN2O3S and a molecular weight of 396.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid
PubChem CID58191564
Molecular FormulaC20H13ClN2O3S
Molecular Weight396.86 g/mol
Exact Mass396.03
IUPAC Name2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid
SMILESO=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccccc2n1
InChIInChI=1S/C20H13ClN2O3S/c21-14-6-4-12(5-7-14)19-18(20(25)26)13(11-27-19)9-16(24)15-10-23-8-2-1-3-17(23)22-15/h1-8,10-11H,9H2,(H,25,26)
InChIKeyXTZCTMDWSXTLOS-UHFFFAOYSA-N
XLogP4.84
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid (CID 58191564) is 2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid is O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cn2ccccc2n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid?
The InChIKey is XTZCTMDWSXTLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O3S/c21-14-6-4-12(5-7-14)19-18(20(25)26)13(11-27-19)9-16(24)15-10-23-8-2-1-3-17(23)22-15/h1-8,10-11H,9H2,(H,25,26).
What are the key properties of 2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid?
2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid has a molecular weight of 396.86 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(2-imidazo[1,2-a]pyridin-2-yl-2-oxoethyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 58191564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).