1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol

C17H14F2N2O — CID 111440105

IUPAC1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol
SMILESOC(Cn1ccnc1-c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C17H14F2N2O/c18-13-7-4-8-14(19)16(13)15(22)11-21-10-9-20-17(21)12-5-2-1-3-6-12/h1-10,15,22H,11H2
InChIKeyICFDSQWVXCWJCR-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.56
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol

1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol (PubChem CID 111440105) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol
PubChem CID111440105
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol
SMILESOC(Cn1ccnc1-c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C17H14F2N2O/c18-13-7-4-8-14(19)16(13)15(22)11-21-10-9-20-17(21)12-5-2-1-3-6-12/h1-10,15,22H,11H2
InChIKeyICFDSQWVXCWJCR-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411390
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
1-(4-aminophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 62265055
1-[(2-fluorophenyl)methoxy]-3-(2-phenylimidazol-1-yl)propan-2-ol
CID 111440098
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile
CID 55139509
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
1-(2,2-dimethylpropyl)-2-phenylimidazole
CID 21060212
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
(1R)-1-(2,5-difluorophenyl)-2-[2-(3-nitrophenyl)imidazol-1-yl]ethanol
CID 94333678

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol (CID 111440105) is 1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol is OC(Cn1ccnc1-c1ccccc1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol?
The InChIKey is ICFDSQWVXCWJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c18-13-7-4-8-14(19)16(13)15(22)11-21-10-9-20-17(21)12-5-2-1-3-6-12/h1-10,15,22H,11H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol?
1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol has a molecular weight of 300.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol is sourced from PubChem (CID 111440105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).