2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol

C21H16F3N3O — CID 135925088

IUPAC2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1nc2cccnc2n1CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)15-6-3-5-14(13-15)10-12-27-19(16-7-1-2-9-18(16)28)26-17-8-4-11-25-20(17)27/h1-9,11,13,28H,10,12H2
InChIKeyLYKUNYIHSCAJFT-UHFFFAOYSA-N
MW383.37 g/mol
LogP5.07
Rot. Bonds4

About 2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol

2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 135925088) has the molecular formula C21H16F3N3O and a molecular weight of 383.37 g/mol. Its IUPAC name is 2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol
PubChem CID135925088
Molecular FormulaC21H16F3N3O
Molecular Weight383.37 g/mol
Exact Mass383.12
IUPAC Name2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol
SMILESOc1ccccc1-c1nc2cccnc2n1CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3N3O/c22-21(23,24)15-6-3-5-14(13-15)10-12-27-19(16-7-1-2-9-18(16)28)26-17-8-4-11-25-20(17)27/h1-9,11,13,28H,10,12H2
InChIKeyLYKUNYIHSCAJFT-UHFFFAOYSA-N
XLogP5.07
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.37
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

RP107
CID 448912
4-methyl-2-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol
CID 715143
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
CID 682797
2-[[(1-Prop-2-enylbenzimidazol-2-yl)amino]methyl]phenol
CID 890291
4-Methyl-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 930436
2-(3-Benzylimidazol-4-yl)phenol
CID 2806275
2-(((1-(2-(piperidin-1-yl)ethyl)-1H-benzo[d]imidazol-2-yl)amino)methyl)phenol
CID 1090110
Coelenterazine
CID 135445694
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
Antiproliferative agent-14
CID 86280647
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 11
CID 135434951
2-Ethyl-3-(1-methylbutyl)-7-[2-(trifluoromethyl)-4-methoxyphenyl]-3H-imidazo[4,5-b]pyridine
CID 44458682

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol?
The IUPAC name of 2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol (CID 135925088) is 2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol?
The canonical SMILES for 2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol is Oc1ccccc1-c1nc2cccnc2n1CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol?
The InChIKey is LYKUNYIHSCAJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O/c22-21(23,24)15-6-3-5-14(13-15)10-12-27-19(16-7-1-2-9-18(16)28)26-17-8-4-11-25-20(17)27/h1-9,11,13,28H,10,12H2.
What are the key properties of 2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol?
2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 383.37 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 135925088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).