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

C23H18F3N3O2 — CID 45273623

IUPACN-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C23H18F3N3O2/c1-14(30)20-13-29-12-19(10-11-21(29)28-20)27-22(31)17-4-2-15(3-5-17)16-6-8-18(9-7-16)23(24,25)26/h2-14,30H,1H3,(H,27,31)
InChIKeyPZYHGXGNJUMRKE-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.33
Rot. Bonds4

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

N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 45273623) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID45273623
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC NameN-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C23H18F3N3O2/c1-14(30)20-13-29-12-19(10-11-21(29)28-20)27-22(31)17-4-2-15(3-5-17)16-6-8-18(9-7-16)23(24,25)26/h2-14,30H,1H3,(H,27,31)
InChIKeyPZYHGXGNJUMRKE-UHFFFAOYSA-N
XLogP5.33
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 45273623) is N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is CC(O)c1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1.
What is the InChIKey of N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is PZYHGXGNJUMRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-14(30)20-13-29-12-19(10-11-21(29)28-20)27-22(31)17-4-2-15(3-5-17)16-6-8-18(9-7-16)23(24,25)26/h2-14,30H,1H3,(H,27,31).
What are the key properties of N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 425.41 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 45273623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).