4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C24H20F3N3O2S — CID 55712102

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C24H20F3N3O2S/c25-24(26,27)16-32-20-5-3-4-17(12-20)13-28-23(31)18-7-9-21(10-8-18)33-15-19-14-30-11-2-1-6-22(30)29-19/h1-12,14H,13,15-16H2,(H,28,31)
InChIKeyXIIHRCFWXOVZTP-UHFFFAOYSA-N
MW471.50 g/mol
LogP5.50
Rot. Bonds8

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 55712102) has the molecular formula C24H20F3N3O2S and a molecular weight of 471.50 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID55712102
Molecular FormulaC24H20F3N3O2S
Molecular Weight471.50 g/mol
Exact Mass471.12
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(SCc2cn3ccccc3n2)cc1
InChIInChI=1S/C24H20F3N3O2S/c25-24(26,27)16-32-20-5-3-4-17(12-20)13-28-23(31)18-7-9-21(10-8-18)33-15-19-14-30-11-2-1-6-22(30)29-19/h1-12,14H,13,15-16H2,(H,28,31)
InChIKeyXIIHRCFWXOVZTP-UHFFFAOYSA-N
XLogP5.50
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide with MolForge

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Related Compounds

N-[(2-ethoxy-4-pyridinyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 55707737
4-methylsulfanyl-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 78875500
N-[(2-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 32742009
N-[(4-cyanophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134035536
N-[[4-(carbamoylamino)phenyl]methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134046116
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 55819071
N-[(3-chlorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 9402179
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
N-(2-amino-2-ethylbutyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119642980
N-ethyl-3-[[4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]amino]benzamide
CID 46514327
N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55576832

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 55712102) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is O=C(NCc1cccc(OCC(F)(F)F)c1)c1ccc(SCc2cn3ccccc3n2)cc1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is XIIHRCFWXOVZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2S/c25-24(26,27)16-32-20-5-3-4-17(12-20)13-28-23(31)18-7-9-21(10-8-18)33-15-19-14-30-11-2-1-6-22(30)29-19/h1-12,14H,13,15-16H2,(H,28,31).
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 471.50 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55712102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).