2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide

C23H16BrN3O3S — CID 164625103

IUPAC2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
SMILESO=C(Cc1c(-c2ccccc2)nc2cc(Br)ccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C23H16BrN3O3S/c24-17-8-10-27-19(23(26-21(27)12-17)16-4-2-1-3-5-16)14-22(28)25-18-7-6-15-9-11-31(29,30)20(15)13-18/h1-13H,14H2,(H,25,28)
InChIKeyRXTILZONUSUACH-UHFFFAOYSA-N
MW494.37 g/mol
LogP4.70
Rot. Bonds4

About 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide

2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide (PubChem CID 164625103) has the molecular formula C23H16BrN3O3S and a molecular weight of 494.37 g/mol. Its IUPAC name is 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide.

Molecular Properties

Compound Name2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
PubChem CID164625103
Molecular FormulaC23H16BrN3O3S
Molecular Weight494.37 g/mol
Exact Mass493.01
IUPAC Name2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide
SMILESO=C(Cc1c(-c2ccccc2)nc2cc(Br)ccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2
InChIInChI=1S/C23H16BrN3O3S/c24-17-8-10-27-19(23(26-21(27)12-17)16-4-2-1-3-5-16)14-22(28)25-18-7-6-15-9-11-31(29,30)20(15)13-18/h1-13H,14H2,(H,25,28)
InChIKeyRXTILZONUSUACH-UHFFFAOYSA-N
XLogP4.70
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The IUPAC name of 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide (CID 164625103) is 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide.
What is the SMILES notation for 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The canonical SMILES for 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide is O=C(Cc1c(-c2ccccc2)nc2cc(Br)ccn12)Nc1ccc2c(c1)S(=O)(=O)C=C2.
What is the InChIKey of 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
The InChIKey is RXTILZONUSUACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3O3S/c24-17-8-10-27-19(23(26-21(27)12-17)16-4-2-1-3-5-16)14-22(28)25-18-7-6-15-9-11-31(29,30)20(15)13-18/h1-13H,14H2,(H,25,28).
What are the key properties of 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide?
2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide has a molecular weight of 494.37 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N-(1,1-dioxo-1-benzothiophen-6-yl)acetamide is sourced from PubChem (CID 164625103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).