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

C22H16F3N3O — CID 45273703

IUPACN-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C22H16F3N3O/c1-14-12-28-13-19(10-11-20(28)26-14)27-21(29)17-4-2-15(3-5-17)16-6-8-18(9-7-16)22(23,24)25/h2-13H,1H3,(H,27,29)
InChIKeyHOPKGHJSKLOTHE-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.58
Rot. Bonds3

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

N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 45273703) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID45273703
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC NameN-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C22H16F3N3O/c1-14-12-28-13-19(10-11-20(28)26-14)27-21(29)17-4-2-15(3-5-17)16-6-8-18(9-7-16)22(23,24)25/h2-13H,1H3,(H,27,29)
InChIKeyHOPKGHJSKLOTHE-UHFFFAOYSA-N
XLogP5.58
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (CID 45273703) is N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is Cc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1.
What is the InChIKey of N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HOPKGHJSKLOTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c1-14-12-28-13-19(10-11-20(28)26-14)27-21(29)17-4-2-15(3-5-17)16-6-8-18(9-7-16)22(23,24)25/h2-13H,1H3,(H,27,29).
What are the key properties of N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 395.38 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 45273703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).