2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol

C23H18F3N3O — CID 14988699

IUPAC2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cn1ccnc1)(c1ccc(-c2ccncc2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)21-7-5-20(6-8-21)22(30,15-29-14-13-28-16-29)19-3-1-17(2-4-19)18-9-11-27-12-10-18/h1-14,16,30H,15H2
InChIKeyWPTRTKHRBVAGNS-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.90
Rot. Bonds5

About 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol

2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 14988699) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID14988699
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC Name2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cn1ccnc1)(c1ccc(-c2ccncc2)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H18F3N3O/c24-23(25,26)21-7-5-20(6-8-21)22(30,15-29-14-13-28-16-29)19-3-1-17(2-4-19)18-9-11-27-12-10-18/h1-14,16,30H,15H2
InChIKeyWPTRTKHRBVAGNS-UHFFFAOYSA-N
XLogP4.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-fluorophenyl)-3-hydroxy-3-pyridin-2-ylpropyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 14660410
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407263
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-2-yl)ethanol
CID 45486465
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-3-yl)ethanol
CID 45486477
(S)-1-((5aR,6S)-1-(4-Fluorophenyl)-5a-methyl-5,5a,6,7,8,9-hexahydroimidazo[1,5-b]isoquinolin-6-yl)-1-(pyridin-4-yl)ethanol
CID 45486485
rac-1-(1H-Imidazol-4-yl)-2-methyl-1-[4-(2-pyridinyl)phenyl]-1-propanol
CID 54582428
1-(3-Benzyl-2-methylimidazol-4-yl)-1-(2-methylphenyl)ethanol
CID 304292
(4-methylphenyl)(1-methyl-2-propyl-1H-imidazol-5-yl)phenylmethanol
CID 3932949
(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-imidazol-1-ylbutan-2-ol
CID 25132724
2-(2,4-Difluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 44409786
[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155541112
(2-Methyl-3-imidazo[1,2-a]pyridinyl)-diphenylmethanol
CID 44634510

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 14988699) is 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(Cn1ccnc1)(c1ccc(-c2ccncc2)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is WPTRTKHRBVAGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c24-23(25,26)21-7-5-20(6-8-21)22(30,15-29-14-13-28-16-29)19-3-1-17(2-4-19)18-9-11-27-12-10-18/h1-14,16,30H,15H2.
What are the key properties of 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 409.41 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 14988699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).