1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol

C18H16F3N3O — CID 109411339

IUPAC1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)Cn1ccnc1-c1ccccn1
InChIInChI=1S/C18H16F3N3O/c19-18(20,21)14-6-4-13(5-7-14)11-15(25)12-24-10-9-23-17(24)16-3-1-2-8-22-16/h1-10,15,25H,11-12H2
InChIKeyNEUCEVUSCMXKQF-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.57
Rot. Bonds5

About 1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol

1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 109411339) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID109411339
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
SMILESOC(Cc1ccc(C(F)(F)F)cc1)Cn1ccnc1-c1ccccn1
InChIInChI=1S/C18H16F3N3O/c19-18(20,21)14-6-4-13(5-7-14)11-15(25)12-24-10-9-23-17(24)16-3-1-2-8-22-16/h1-10,15,25H,11-12H2
InChIKeyNEUCEVUSCMXKQF-UHFFFAOYSA-N
XLogP3.57
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-5,6-dimethylpyrimidin-4-one
CID 75501776
1-[(4-methoxyphenyl)methoxy]-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
CID 109411365
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
1-(4-methylpiperidin-1-yl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
CID 109411363
1-(3,5-dimethylphenyl)-2-(2-pyridin-2-ylimidazol-1-yl)ethanol
CID 109411368
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
(2R)-2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol
CID 96580323
2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol
CID 70776350
1-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1,2,4-triazole-3-carbonitrile
CID 97327223
2-(2-pyridin-2-ylimidazol-1-yl)acetamide
CID 82558916
(2S)-1-[3-[(S)-methylsulfinyl]-1,2,4-triazol-1-yl]-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 97327253
1-(1H-imidazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62115942

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol (CID 109411339) is 1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol is OC(Cc1ccc(C(F)(F)F)cc1)Cn1ccnc1-c1ccccn1.
What is the InChIKey of 1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is NEUCEVUSCMXKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c19-18(20,21)14-6-4-13(5-7-14)11-15(25)12-24-10-9-23-17(24)16-3-1-2-8-22-16/h1-10,15,25H,11-12H2.
What are the key properties of 1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol?
1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 347.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-2-ylimidazol-1-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 109411339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).