N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide

C18H12BrN3OS — CID 166633626

IUPACN-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccc(Br)cn12)c1ccccc1
InChIInChI=1S/C18H12BrN3OS/c19-13-8-9-15-20-16(14-7-4-10-24-14)17(22(15)11-13)21-18(23)12-5-2-1-3-6-12/h1-11H,(H,21,23)
InChIKeyFJSUNQRXIVSANM-UHFFFAOYSA-N
MW398.29 g/mol
LogP5.08
Rot. Bonds3

About N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide

N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide (PubChem CID 166633626) has the molecular formula C18H12BrN3OS and a molecular weight of 398.29 g/mol. Its IUPAC name is N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
PubChem CID166633626
Molecular FormulaC18H12BrN3OS
Molecular Weight398.29 g/mol
Exact Mass396.99
IUPAC NameN-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccc(Br)cn12)c1ccccc1
InChIInChI=1S/C18H12BrN3OS/c19-13-8-9-15-20-16(14-7-4-10-24-14)17(22(15)11-13)21-18(23)12-5-2-1-3-6-12/h1-11H,(H,21,23)
InChIKeyFJSUNQRXIVSANM-UHFFFAOYSA-N
XLogP5.08
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.29
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The IUPAC name of N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide (CID 166633626) is N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide.
What is the SMILES notation for N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The canonical SMILES for N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide is O=C(Nc1c(-c2cccs2)nc2ccc(Br)cn12)c1ccccc1.
What is the InChIKey of N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The InChIKey is FJSUNQRXIVSANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3OS/c19-13-8-9-15-20-16(14-7-4-10-24-14)17(22(15)11-13)21-18(23)12-5-2-1-3-6-12/h1-11H,(H,21,23).
What are the key properties of N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide has a molecular weight of 398.29 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 166633626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).