2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide

C20H14Cl2F3N5O — CID 54570152

IUPAC2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(Nc1cccn2c(CCn3ccnc3)c(C(F)(F)F)nc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H14Cl2F3N5O/c21-12-3-1-4-13(22)16(12)19(31)27-14-5-2-8-30-15(6-9-29-10-7-26-11-29)17(20(23,24)25)28-18(14)30/h1-5,7-8,10-11H,6,9H2,(H,27,31)
InChIKeyZWRISNSMFLZSEI-UHFFFAOYSA-N
MW468.27 g/mol
LogP5.35
Rot. Bonds5

About 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide

2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 54570152) has the molecular formula C20H14Cl2F3N5O and a molecular weight of 468.27 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID54570152
Molecular FormulaC20H14Cl2F3N5O
Molecular Weight468.27 g/mol
Exact Mass467.05
IUPAC Name2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(Nc1cccn2c(CCn3ccnc3)c(C(F)(F)F)nc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C20H14Cl2F3N5O/c21-12-3-1-4-13(22)16(12)19(31)27-14-5-2-8-30-15(6-9-29-10-7-26-11-29)17(20(23,24)25)28-18(14)30/h1-5,7-8,10-11H,6,9H2,(H,27,31)
InChIKeyZWRISNSMFLZSEI-UHFFFAOYSA-N
XLogP5.35
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.27
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (CID 54570152) is 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is O=C(Nc1cccn2c(CCn3ccnc3)c(C(F)(F)F)nc12)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is ZWRISNSMFLZSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F3N5O/c21-12-3-1-4-13(22)16(12)19(31)27-14-5-2-8-30-15(6-9-29-10-7-26-11-29)17(20(23,24)25)28-18(14)30/h1-5,7-8,10-11H,6,9H2,(H,27,31).
What are the key properties of 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 468.27 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 54570152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).