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

C18H14Cl2F3N3O2 — CID 67767588

IUPAC2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCC(C)(O)c1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12
InChIInChI=1S/C18H14Cl2F3N3O2/c1-17(2,28)14-13(18(21,22)23)25-15-11(7-4-8-26(14)15)24-16(27)12-9(19)5-3-6-10(12)20/h3-8,28H,1-2H3,(H,24,27)
InChIKeyHIERVOWBIKJYCO-UHFFFAOYSA-N
MW432.23 g/mol
LogP5.14
Rot. Bonds3

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

2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 67767588) has the molecular formula C18H14Cl2F3N3O2 and a molecular weight of 432.23 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID67767588
Molecular FormulaC18H14Cl2F3N3O2
Molecular Weight432.23 g/mol
Exact Mass431.04
IUPAC Name2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCC(C)(O)c1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12
InChIInChI=1S/C18H14Cl2F3N3O2/c1-17(2,28)14-13(18(21,22)23)25-15-11(7-4-8-26(14)15)24-16(27)12-9(19)5-3-6-10(12)20/h3-8,28H,1-2H3,(H,24,27)
InChIKeyHIERVOWBIKJYCO-UHFFFAOYSA-N
XLogP5.14
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.23
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide (CID 67767588) is 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is CC(C)(O)c1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12.
What is the InChIKey of 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is HIERVOWBIKJYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N3O2/c1-17(2,28)14-13(18(21,22)23)25-15-11(7-4-8-26(14)15)24-16(27)12-9(19)5-3-6-10(12)20/h3-8,28H,1-2H3,(H,24,27).
What are the key properties of 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 432.23 g/mol, XLogP of 5.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 67767588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).