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

C20H11F6N3O — CID 11362239

IUPAC1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
SMILESO=c1n(-c2cccc(C(F)(F)F)c2)c2cccnc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H11F6N3O/c21-19(22,23)12-4-1-6-14(10-12)28-16-8-3-9-27-17(16)29(18(28)30)15-7-2-5-13(11-15)20(24,25)26/h1-11H
InChIKeyICVZTLOOJNCUPZ-UHFFFAOYSA-N
MW423.32 g/mol
LogP5.21
Rot. Bonds2

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

1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 11362239) has the molecular formula C20H11F6N3O and a molecular weight of 423.32 g/mol. Its IUPAC name is 1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
PubChem CID11362239
Molecular FormulaC20H11F6N3O
Molecular Weight423.32 g/mol
Exact Mass423.08
IUPAC Name1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
SMILESO=c1n(-c2cccc(C(F)(F)F)c2)c2cccnc2n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H11F6N3O/c21-19(22,23)12-4-1-6-14(10-12)28-16-8-3-9-27-17(16)29(18(28)30)15-7-2-5-13(11-15)20(24,25)26/h1-11H
InChIKeyICVZTLOOJNCUPZ-UHFFFAOYSA-N
XLogP5.21
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-1,8-naphthyridin-4-one
CID 142666921
1-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 151593977
2-propyl-3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridine
CID 117165971
10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 151378917
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]imidazole-4-carbaldehyde
CID 102201293
3-methylidene-2-[3-(trifluoromethyl)phenyl]isoindol-1-one
CID 14662954
6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 124598307
3-prop-2-ynylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one
CID 2743303
7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117206797
1-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 110452554
1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 13282380
3-[[2-(trifluoromethoxy)phenyl]methyl]-5-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[4,3-c][1,8]naphthyridin-4-one
CID 86630445

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one (CID 11362239) is 1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one is O=c1n(-c2cccc(C(F)(F)F)c2)c2cccnc2n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is ICVZTLOOJNCUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N3O/c21-19(22,23)12-4-1-6-14(10-12)28-16-8-3-9-27-17(16)29(18(28)30)15-7-2-5-13(11-15)20(24,25)26/h1-11H.
What are the key properties of 1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one?
1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 423.32 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 11362239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).