1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one

C20H14F3N3OS — CID 71214482

IUPAC1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(Sc3cccc(C(F)(F)F)c3)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H14F3N3OS/c21-20(22,23)14-7-4-8-15(11-14)28-17-10-9-16-18(24-17)25-19(27)26(16)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,24,25,27)
InChIKeyKGDROAZWVSYAHO-UHFFFAOYSA-N
MW401.41 g/mol
LogP4.94
Rot. Bonds4

About 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one

1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 71214482) has the molecular formula C20H14F3N3OS and a molecular weight of 401.41 g/mol. Its IUPAC name is 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID71214482
Molecular FormulaC20H14F3N3OS
Molecular Weight401.41 g/mol
Exact Mass401.08
IUPAC Name1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2nc(Sc3cccc(C(F)(F)F)c3)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H14F3N3OS/c21-20(22,23)14-7-4-8-15(11-14)28-17-10-9-16-18(24-17)25-19(27)26(16)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,24,25,27)
InChIKeyKGDROAZWVSYAHO-UHFFFAOYSA-N
XLogP4.94
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 2545714
3-benzyl-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382277
4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 24765332
1-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 38846521
3-benzyl-7-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-1H-quinazoline-2,4-dione
CID 53061229
4-methyl-2-[3-(trifluoromethyl)phenyl]sulfanyl-1H-pyrimidin-6-one
CID 135928288
6-amino-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-dione
CID 28603282
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 134084698
3-benzyl-7-propyl-8-[3-(trifluoromethyl)phenyl]purine-2,6-dione
CID 3428344
1,2-dibenzyl-5-(trifluoromethyl)benzimidazole
CID 46310965
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 117208282

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one (CID 71214482) is 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2nc(Sc3cccc(C(F)(F)F)c3)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is KGDROAZWVSYAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3OS/c21-20(22,23)14-7-4-8-15(11-14)28-17-10-9-16-18(24-17)25-19(27)26(16)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,24,25,27).
What are the key properties of 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one?
1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 401.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[3-(trifluoromethyl)phenyl]sulfanyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71214482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).