N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide

C18H11BrClN3OS — CID 166630695

IUPACN-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccc(Br)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C18H11BrClN3OS/c19-12-5-8-15-21-16(14-2-1-9-25-14)17(23(15)10-12)22-18(24)11-3-6-13(20)7-4-11/h1-10H,(H,22,24)
InChIKeyIRJWKUZUBYYWLK-UHFFFAOYSA-N
MW432.73 g/mol
LogP5.73
Rot. Bonds3

About N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide

N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide (PubChem CID 166630695) has the molecular formula C18H11BrClN3OS and a molecular weight of 432.73 g/mol. Its IUPAC name is N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide
PubChem CID166630695
Molecular FormulaC18H11BrClN3OS
Molecular Weight432.73 g/mol
Exact Mass430.95
IUPAC NameN-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccc(Br)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C18H11BrClN3OS/c19-12-5-8-15-21-16(14-2-1-9-25-14)17(23(15)10-12)22-18(24)11-3-6-13(20)7-4-11/h1-10H,(H,22,24)
InChIKeyIRJWKUZUBYYWLK-UHFFFAOYSA-N
XLogP5.73
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.73
LogP ≤ 55.73
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)-4-chlorobenzamide?
The IUPAC name of N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide (CID 166630695) is N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide?
The canonical SMILES for N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide is O=C(Nc1c(-c2cccs2)nc2ccc(Br)cn12)c1ccc(Cl)cc1.
What is the InChIKey of N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide?
The InChIKey is IRJWKUZUBYYWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClN3OS/c19-12-5-8-15-21-16(14-2-1-9-25-14)17(23(15)10-12)22-18(24)11-3-6-13(20)7-4-11/h1-10H,(H,22,24).
What are the key properties of N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide?
N-(6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-chlorobenzamide has a molecular weight of 432.73 g/mol, XLogP of 5.73, 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)-4-chlorobenzamide is sourced from PubChem (CID 166630695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).