N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide

C24H20F3N3O — CID 4197390

IUPACN-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(c1cccc(C(F)(F)F)c1)c1cnc2ccccn12)NCc1ccccc1
InChIInChI=1S/C24H20F3N3O/c25-24(26,27)19-10-6-9-18(13-19)20(21-16-28-22-11-4-5-12-30(21)22)14-23(31)29-15-17-7-2-1-3-8-17/h1-13,16,20H,14-15H2,(H,29,31)
InChIKeyVLQYWCLRLMGKHC-UHFFFAOYSA-N
MW423.44 g/mol
LogP5.19
Rot. Bonds6

About N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide

N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 4197390) has the molecular formula C24H20F3N3O and a molecular weight of 423.44 g/mol. Its IUPAC name is N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID4197390
Molecular FormulaC24H20F3N3O
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC NameN-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(c1cccc(C(F)(F)F)c1)c1cnc2ccccn12)NCc1ccccc1
InChIInChI=1S/C24H20F3N3O/c25-24(26,27)19-10-6-9-18(13-19)20(21-16-28-22-11-4-5-12-30(21)22)14-23(31)29-15-17-7-2-1-3-8-17/h1-13,16,20H,14-15H2,(H,29,31)
InChIKeyVLQYWCLRLMGKHC-UHFFFAOYSA-N
XLogP5.19
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4571894
N-(3,4-dimethylphenyl)-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 3418425
3-imidazo[1,2-a]pyridin-3-yl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 42782840
N-(3,3-diphenylpropyl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanamide
CID 5074475
N-(furan-2-ylmethyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 3533299
(3S)-N-benzyl-3-(1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 93299390
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 3450646
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 4611202
N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4160925
N-(2-methoxyethyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 42782144
N-hexyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 5050639
2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium
CID 7301673

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 4197390) is N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide is O=C(CC(c1cccc(C(F)(F)F)c1)c1cnc2ccccn12)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VLQYWCLRLMGKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O/c25-24(26,27)19-10-6-9-18(13-19)20(21-16-28-22-11-4-5-12-30(21)22)14-23(31)29-15-17-7-2-1-3-8-17/h1-13,16,20H,14-15H2,(H,29,31).
What are the key properties of N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide?
N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 423.44 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 4197390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).