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

C18H15Cl3F3N3O2 — CID 139797449

IUPAC2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride
SMILESCC(C)(O)c1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12.Cl
InChIInChI=1S/C18H14Cl2F3N3O2.ClH/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);1H
InChIKeyWYQMWQMETGFBRQ-UHFFFAOYSA-N
MW468.69 g/mol
LogP5.56
Rot. Bonds3

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

2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride (PubChem CID 139797449) has the molecular formula C18H15Cl3F3N3O2 and a molecular weight of 468.69 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;hydrochloride.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride
PubChem CID139797449
Molecular FormulaC18H15Cl3F3N3O2
Molecular Weight468.69 g/mol
Exact Mass467.02
IUPAC Name2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride
SMILESCC(C)(O)c1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12.Cl
InChIInChI=1S/C18H14Cl2F3N3O2.ClH/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);1H
InChIKeyWYQMWQMETGFBRQ-UHFFFAOYSA-N
XLogP5.56
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.69
LogP ≤ 55.56
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;hydrochloride?
The IUPAC name of 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride (CID 139797449) is 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride.
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;hydrochloride?
The canonical SMILES for 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride is CC(C)(O)c1c(C(F)(F)F)nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn12.Cl.
What is the InChIKey of 2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride?
The InChIKey is WYQMWQMETGFBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N3O2.ClH/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);1H.
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;hydrochloride?
2,6-dichloro-N-[3-(2-hydroxypropan-2-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-8-yl]benzamide;hydrochloride has a molecular weight of 468.69 g/mol, XLogP of 5.56, 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;hydrochloride is sourced from PubChem (CID 139797449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).