1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol

C22H17F2N3O — CID 14988705

IUPAC1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
SMILESOC(Cn1ccnc1)(c1ccc(-c2ccncc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C22H17F2N3O/c23-19-5-6-20(21(24)13-19)22(28,14-27-12-11-26-15-27)18-3-1-16(2-4-18)17-7-9-25-10-8-17/h1-13,15,28H,14H2
InChIKeyIAJFYMVLKYAWBA-UHFFFAOYSA-N
MW377.39 g/mol
LogP4.16
Rot. Bonds5

About 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol

1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol (PubChem CID 14988705) has the molecular formula C22H17F2N3O and a molecular weight of 377.39 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
PubChem CID14988705
Molecular FormulaC22H17F2N3O
Molecular Weight377.39 g/mol
Exact Mass377.13
IUPAC Name1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
SMILESOC(Cn1ccnc1)(c1ccc(-c2ccncc2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C22H17F2N3O/c23-19-5-6-20(21(24)13-19)22(28,14-27-12-11-26-15-27)18-3-1-16(2-4-18)17-7-9-25-10-8-17/h1-13,15,28H,14H2
InChIKeyIAJFYMVLKYAWBA-UHFFFAOYSA-N
XLogP4.16
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.16
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-[4-(2,2-Dimethylpropyl)-1h-imidazol-2-yl]-2-[4-(5-fluoropyridin-2-yl)phenyl]propan-2-ol
CID 25026445
(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-[[2-(2-Fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]phenyl]methanol
CID 44427151
[4-[6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyrazin-3-yl]phenyl]methanol
CID 155541112

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol (CID 14988705) is 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol is OC(Cn1ccnc1)(c1ccc(-c2ccncc2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The InChIKey is IAJFYMVLKYAWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O/c23-19-5-6-20(21(24)13-19)22(28,14-27-12-11-26-15-27)18-3-1-16(2-4-18)17-7-9-25-10-8-17/h1-13,15,28H,14H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol has a molecular weight of 377.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol is sourced from PubChem (CID 14988705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).