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

C19H14ClN3OS — CID 979726

IUPAC4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCc1ccc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)n2c1
InChIInChI=1S/C19H14ClN3OS/c1-12-4-9-16-21-17(15-3-2-10-25-15)18(23(16)11-12)22-19(24)13-5-7-14(20)8-6-13/h2-11H,1H3,(H,22,24)
InChIKeyGVTBBTIQMDBGNJ-UHFFFAOYSA-N
MW367.86 g/mol
LogP5.28
Rot. Bonds3

About 4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide

4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide (PubChem CID 979726) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
PubChem CID979726
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC Name4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESCc1ccc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)n2c1
InChIInChI=1S/C19H14ClN3OS/c1-12-4-9-16-21-17(15-3-2-10-25-15)18(23(16)11-12)22-19(24)13-5-7-14(20)8-6-13/h2-11H,1H3,(H,22,24)
InChIKeyGVTBBTIQMDBGNJ-UHFFFAOYSA-N
XLogP5.28
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.86
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The IUPAC name of 4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide (CID 979726) is 4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The canonical SMILES for 4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide is Cc1ccc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)n2c1.
What is the InChIKey of 4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
The InChIKey is GVTBBTIQMDBGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c1-12-4-9-16-21-17(15-3-2-10-25-15)18(23(16)11-12)22-19(24)13-5-7-14(20)8-6-13/h2-11H,1H3,(H,22,24).
What are the key properties of 4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide?
4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide has a molecular weight of 367.86 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 979726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).