2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide

C16H9Cl3F3N3O — CID 54197447

IUPAC2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(Nc1c(CCl)ccn2cc(C(F)(F)F)nc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H9Cl3F3N3O/c17-6-8-4-5-25-7-11(16(20,21)22)23-14(25)13(8)24-15(26)12-9(18)2-1-3-10(12)19/h1-5,7H,6H2,(H,24,26)
InChIKeyPMVPNCSLTSJJGV-UHFFFAOYSA-N
MW422.62 g/mol
LogP5.65
Rot. Bonds3

About 2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide

2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 54197447) has the molecular formula C16H9Cl3F3N3O and a molecular weight of 422.62 g/mol. Its IUPAC name is 2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID54197447
Molecular FormulaC16H9Cl3F3N3O
Molecular Weight422.62 g/mol
Exact Mass420.98
IUPAC Name2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(Nc1c(CCl)ccn2cc(C(F)(F)F)nc12)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H9Cl3F3N3O/c17-6-8-4-5-25-7-11(16(20,21)22)23-14(25)13(8)24-15(26)12-9(18)2-1-3-10(12)19/h1-5,7H,6H2,(H,24,26)
InChIKeyPMVPNCSLTSJJGV-UHFFFAOYSA-N
XLogP5.65
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,6-dichloro-N-[7-(chloromethyl)-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-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (CID 54197447) is 2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is O=C(Nc1c(CCl)ccn2cc(C(F)(F)F)nc12)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is PMVPNCSLTSJJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl3F3N3O/c17-6-8-4-5-25-7-11(16(20,21)22)23-14(25)13(8)24-15(26)12-9(18)2-1-3-10(12)19/h1-5,7H,6H2,(H,24,26).
What are the key properties of 2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 422.62 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[7-(chloromethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 54197447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).