4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid

C21H13Cl2N3O3 — CID 5330611

IUPAC4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1
InChIInChI=1S/C21H13Cl2N3O3/c22-15-2-1-3-16(23)19(15)20(27)13-6-9-18-25-17(11-26(18)10-13)24-14-7-4-12(5-8-14)21(28)29/h1-11,24H,(H,28,29)
InChIKeyQCJVVHWZCBQTMP-UHFFFAOYSA-N
MW426.26 g/mol
LogP5.31
Rot. Bonds5

About 4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid

4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid (PubChem CID 5330611) has the molecular formula C21H13Cl2N3O3 and a molecular weight of 426.26 g/mol. Its IUPAC name is 4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid
PubChem CID5330611
Molecular FormulaC21H13Cl2N3O3
Molecular Weight426.26 g/mol
Exact Mass425.03
IUPAC Name4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1
InChIInChI=1S/C21H13Cl2N3O3/c22-15-2-1-3-16(23)19(15)20(27)13-6-9-18-25-17(11-26(18)10-13)24-14-7-4-12(5-8-14)21(28)29/h1-11,24H,(H,28,29)
InChIKeyQCJVVHWZCBQTMP-UHFFFAOYSA-N
XLogP5.31
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.26
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid (CID 5330611) is 4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2cn3cc(C(=O)c4c(Cl)cccc4Cl)ccc3n2)cc1.
What is the InChIKey of 4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid?
The InChIKey is QCJVVHWZCBQTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O3/c22-15-2-1-3-16(23)19(15)20(27)13-6-9-18-25-17(11-26(18)10-13)24-14-7-4-12(5-8-14)21(28)29/h1-11,24H,(H,28,29).
What are the key properties of 4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid?
4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid has a molecular weight of 426.26 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,6-dichlorobenzoyl)imidazo[1,2-a]pyridin-2-yl]amino]benzoic acid is sourced from PubChem (CID 5330611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).