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

C25H22F3N3O — CID 45271907

IUPACN-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C25H22F3N3O/c1-24(2,3)21-15-31-14-20(12-13-22(31)30-21)29-23(32)18-6-4-16(5-7-18)17-8-10-19(11-9-17)25(26,27)28/h4-15H,1-3H3,(H,29,32)
InChIKeyYQQGXMBZQVEFAU-UHFFFAOYSA-N
MW437.47 g/mol
LogP6.57
Rot. Bonds3

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

N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 45271907) has the molecular formula C25H22F3N3O and a molecular weight of 437.47 g/mol. Its IUPAC name is N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID45271907
Molecular FormulaC25H22F3N3O
Molecular Weight437.47 g/mol
Exact Mass437.17
IUPAC NameN-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)(C)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C25H22F3N3O/c1-24(2,3)21-15-31-14-20(12-13-22(31)30-21)29-23(32)18-6-4-16(5-7-18)17-8-10-19(11-9-17)25(26,27)28/h4-15H,1-3H3,(H,29,32)
InChIKeyYQQGXMBZQVEFAU-UHFFFAOYSA-N
XLogP6.57
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.47
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (CID 45271907) is N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is CC(C)(C)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1.
What is the InChIKey of N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YQQGXMBZQVEFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O/c1-24(2,3)21-15-31-14-20(12-13-22(31)30-21)29-23(32)18-6-4-16(5-7-18)17-8-10-19(11-9-17)25(26,27)28/h4-15H,1-3H3,(H,29,32).
What are the key properties of N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 437.47 g/mol, XLogP of 6.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 45271907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).