3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one

C20H14F3N3O — CID 14687907

IUPAC3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1Cc1ccccc1
InChIInChI=1S/C20H14F3N3O/c21-20(22,23)15-11-16(14-9-5-2-6-10-14)24-18-17(15)25-19(27)26(18)12-13-7-3-1-4-8-13/h1-11H,12H2,(H,25,27)
InChIKeyFPRKMXSNQNEBFQ-UHFFFAOYSA-N
MW369.35 g/mol
LogP4.46
Rot. Bonds3

About 3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one

3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 14687907) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID14687907
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1Cc1ccccc1
InChIInChI=1S/C20H14F3N3O/c21-20(22,23)15-11-16(14-9-5-2-6-10-14)24-18-17(15)25-19(27)26(18)12-13-7-3-1-4-8-13/h1-11H,12H2,(H,25,27)
InChIKeyFPRKMXSNQNEBFQ-UHFFFAOYSA-N
XLogP4.46
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-(2-(4-fluorophenyl)-3-((4-fluorophenyl)amino)-5,6-dihydro-8,8-dimethylimidazo(1,2-a)pyrazin-7(8H)-yl)ethanone
CID 49856296
5,7-diphenyl-3H-imidazo[4,5-b]pyridin-2-ol
CID 11150373
7-Fluoro-1,3-dihydro-imidazo[4,5-b]quinolin-2-one
CID 13936969
1-Methyl-6-Phenyl-1,3-Dihydro-2h-Imidazo[4,5-B]pyridin-2-One
CID 4153551
3-benzyl-1H-imidazo[4,5-b]pyridin-2-one
CID 910567
Win 62582
CID 5487388
3-(4-fluorophenyl)-4H-imidazo[1,5-a]quinoxaline-5-carboxamide
CID 10638502
(R)-4-(2-oxo-1,2-dihydroimidazo[4,5-b]pyridin-3-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
CID 11215322
(R)-4-(2-oxo-2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
CID 11421827
N-[2-(trifluoromethyl)phenyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 23113528
4-amino-1-benzyl-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 24765332
(4R,9aR)-4-methyl-6-trifluoromethyl-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene
CID 44409097

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 14687907) is 3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2c(C(F)(F)F)cc(-c3ccccc3)nc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is FPRKMXSNQNEBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c21-20(22,23)15-11-16(14-9-5-2-6-10-14)24-18-17(15)25-19(27)26(18)12-13-7-3-1-4-8-13/h1-11H,12H2,(H,25,27).
What are the key properties of 3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 369.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-phenyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 14687907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).