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

C19H11ClF3N3OS — CID 25053891

IUPAC4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccc(C(F)(F)F)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClF3N3OS/c20-13-6-3-11(4-7-13)18(27)25-17-16(14-2-1-9-28-14)24-15-8-5-12(10-26(15)17)19(21,22)23/h1-10H,(H,25,27)
InChIKeyWQJHMIKXSXRPAX-UHFFFAOYSA-N
MW421.83 g/mol
LogP5.99
Rot. Bonds3

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

4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 25053891) has the molecular formula C19H11ClF3N3OS and a molecular weight of 421.83 g/mol. Its IUPAC name is 4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID25053891
Molecular FormulaC19H11ClF3N3OS
Molecular Weight421.83 g/mol
Exact Mass421.03
IUPAC Name4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESO=C(Nc1c(-c2cccs2)nc2ccc(C(F)(F)F)cn12)c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClF3N3OS/c20-13-6-3-11(4-7-13)18(27)25-17-16(14-2-1-9-28-14)24-15-8-5-12(10-26(15)17)19(21,22)23/h1-10H,(H,25,27)
InChIKeyWQJHMIKXSXRPAX-UHFFFAOYSA-N
XLogP5.99
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.83
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 25053891) is 4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide is O=C(Nc1c(-c2cccs2)nc2ccc(C(F)(F)F)cn12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is WQJHMIKXSXRPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N3OS/c20-13-6-3-11(4-7-13)18(27)25-17-16(14-2-1-9-28-14)24-15-8-5-12(10-26(15)17)19(21,22)23/h1-10H,(H,25,27).
What are the key properties of 4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 421.83 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-thiophen-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 25053891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).