4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid

C22H17ClN2O4 — CID 135281738

IUPAC4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)O)cc4)cc3n2)cc1Cl
InChIInChI=1S/C22H17ClN2O4/c1-28-19-11-20(29-2)17(23)10-16(19)18-12-25-8-7-15(9-21(25)24-18)13-3-5-14(6-4-13)22(26)27/h3-12H,1-2H3,(H,26,27)
InChIKeyIRWJVWMXNBYAEJ-UHFFFAOYSA-N
MW408.84 g/mol
LogP5.04
Rot. Bonds5

About 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid

4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid (PubChem CID 135281738) has the molecular formula C22H17ClN2O4 and a molecular weight of 408.84 g/mol. Its IUPAC name is 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid.

Molecular Properties

Compound Name4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid
PubChem CID135281738
Molecular FormulaC22H17ClN2O4
Molecular Weight408.84 g/mol
Exact Mass408.09
IUPAC Name4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid
SMILESCOc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)O)cc4)cc3n2)cc1Cl
InChIInChI=1S/C22H17ClN2O4/c1-28-19-11-20(29-2)17(23)10-16(19)18-12-25-8-7-15(9-21(25)24-18)13-3-5-14(6-4-13)22(26)27/h3-12H,1-2H3,(H,26,27)
InChIKeyIRWJVWMXNBYAEJ-UHFFFAOYSA-N
XLogP5.04
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.84
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid?
The IUPAC name of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid (CID 135281738) is 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid.
What is the SMILES notation for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid?
The canonical SMILES for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid is COc1cc(OC)c(-c2cn3ccc(-c4ccc(C(=O)O)cc4)cc3n2)cc1Cl.
What is the InChIKey of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid?
The InChIKey is IRWJVWMXNBYAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O4/c1-28-19-11-20(29-2)17(23)10-16(19)18-12-25-8-7-15(9-21(25)24-18)13-3-5-14(6-4-13)22(26)27/h3-12H,1-2H3,(H,26,27).
What are the key properties of 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid?
4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid has a molecular weight of 408.84 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]benzoic acid is sourced from PubChem (CID 135281738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).