N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide

C24H20F3N3O2 — CID 59193816

IUPACN-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2cccn3cc(Cc4cccc(C(F)(F)F)c4)nc23)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)19-7-1-4-16(12-19)13-20-15-30-10-3-8-21(22(30)29-20)17-5-2-6-18(14-17)23(32)28-9-11-31/h1-8,10,12,14-15,31H,9,11,13H2,(H,28,32)
InChIKeyFSGVXGJVFPOAIW-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.33
Rot. Bonds6

About N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide

N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 59193816) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID59193816
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC NameN-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2cccn3cc(Cc4cccc(C(F)(F)F)c4)nc23)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)19-7-1-4-16(12-19)13-20-15-30-10-3-8-21(22(30)29-20)17-5-2-6-18(14-17)23(32)28-9-11-31/h1-8,10,12,14-15,31H,9,11,13H2,(H,28,32)
InChIKeyFSGVXGJVFPOAIW-UHFFFAOYSA-N
XLogP4.33
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide (CID 59193816) is N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide is O=C(NCCO)c1cccc(-c2cccn3cc(Cc4cccc(C(F)(F)F)c4)nc23)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is FSGVXGJVFPOAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)19-7-1-4-16(12-19)13-20-15-30-10-3-8-21(22(30)29-20)17-5-2-6-18(14-17)23(32)28-9-11-31/h1-8,10,12,14-15,31H,9,11,13H2,(H,28,32).
What are the key properties of N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 439.44 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 59193816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).