1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol

C14H16F2N2O — CID 109411247

IUPAC1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
SMILESCC(C)c1nccn1CC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H16F2N2O/c1-9(2)14-17-5-6-18(14)8-13(19)11-7-10(15)3-4-12(11)16/h3-7,9,13,19H,8H2,1-2H3
InChIKeyNEKSNSICFPAYAG-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.02
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol

1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol (PubChem CID 109411247) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
PubChem CID109411247
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
SMILESCC(C)c1nccn1CC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H16F2N2O/c1-9(2)14-17-5-6-18(14)8-13(19)11-7-10(15)3-4-12(11)16/h3-7,9,13,19H,8H2,1-2H3
InChIKeyNEKSNSICFPAYAG-UHFFFAOYSA-N
XLogP3.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluoro-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
CID 109411249
1-(2-fluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol
CID 103849674
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
(1R)-1-(2,4-difluorophenyl)-2-[2-[(R)-hydroxy(phenyl)methyl]imidazol-1-yl]ethanol
CID 99822149
(1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol
CID 94333678
(2,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314416
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
(5-chloro-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314413
[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387
(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 28794327
(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200232
(1R)-1-(2,5-difluorophenyl)-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200233

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol (CID 109411247) is 1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol is CC(C)c1nccn1CC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol?
The InChIKey is NEKSNSICFPAYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-9(2)14-17-5-6-18(14)8-13(19)11-7-10(15)3-4-12(11)16/h3-7,9,13,19H,8H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol?
1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol has a molecular weight of 266.29 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(2-propan-2-ylimidazol-1-yl)ethanol is sourced from PubChem (CID 109411247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).