N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide

C24H20F3N3O — CID 11683259

IUPACN-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C24H20F3N3O/c1-15(2)21-14-30-13-20(11-12-22(30)29-21)28-23(31)18-5-3-16(4-6-18)17-7-9-19(10-8-17)24(25,26)27/h3-15H,1-2H3,(H,28,31)
InChIKeyKRHYXLVVVURYQT-UHFFFAOYSA-N
MW423.44 g/mol
LogP6.40
Rot. Bonds4

About N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide

N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 11683259) has the molecular formula C24H20F3N3O and a molecular weight of 423.44 g/mol. Its IUPAC name is N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID11683259
Molecular FormulaC24H20F3N3O
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC NameN-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C24H20F3N3O/c1-15(2)21-14-30-13-20(11-12-22(30)29-21)28-23(31)18-5-3-16(4-6-18)17-7-9-19(10-8-17)24(25,26)27/h3-15H,1-2H3,(H,28,31)
InChIKeyKRHYXLVVVURYQT-UHFFFAOYSA-N
XLogP6.40
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (CID 11683259) is N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is CC(C)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1.
What is the InChIKey of N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KRHYXLVVVURYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O/c1-15(2)21-14-30-13-20(11-12-22(30)29-21)28-23(31)18-5-3-16(4-6-18)17-7-9-19(10-8-17)24(25,26)27/h3-15H,1-2H3,(H,28,31).
What are the key properties of N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 423.44 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11683259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).