1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol

C16H13F2N3O — CID 109411390

IUPAC1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
SMILESOC(Cn1ccnc1-c1cccnc1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2N3O/c17-12-4-1-5-13(18)15(12)14(22)10-21-8-7-20-16(21)11-3-2-6-19-9-11/h1-9,14,22H,10H2
InChIKeyMRCKLPQTKKLYDG-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.96
Rot. Bonds4

About 1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol

1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol (PubChem CID 109411390) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
PubChem CID109411390
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
SMILESOC(Cn1ccnc1-c1cccnc1)c1c(F)cccc1F
InChIInChI=1S/C16H13F2N3O/c17-12-4-1-5-13(18)15(12)14(22)10-21-8-7-20-16(21)11-3-2-6-19-9-11/h1-9,14,22H,10H2
InChIKeyMRCKLPQTKKLYDG-UHFFFAOYSA-N
XLogP2.96
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 111440105
1-(4-chlorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol
CID 109411423
1-pyridin-3-yl-2-(2-pyridin-4-ylimidazol-1-yl)ethanol
CID 70721156
3,4-difluoro-N-[2-(2-pyridin-3-ylimidazol-1-yl)ethyl]benzamide
CID 86266190
N,N-dimethyl-2-(2-pyridin-3-ylimidazol-1-yl)acetamide
CID 155915500
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
3-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-2-yl]pyridine
CID 75454577
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
1-(3-methoxyphenyl)-2-(2-phenylimidazol-1-yl)ethanol
CID 110907755
2-[(2-pyridin-3-ylimidazol-1-yl)methyl]aniline
CID 82558943
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

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol (CID 109411390) is 1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol is OC(Cn1ccnc1-c1cccnc1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
The InChIKey is MRCKLPQTKKLYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-12-4-1-5-13(18)15(12)14(22)10-21-8-7-20-16(21)11-3-2-6-19-9-11/h1-9,14,22H,10H2.
What are the key properties of 1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol?
1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol has a molecular weight of 301.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-(2-pyridin-3-ylimidazol-1-yl)ethanol is sourced from PubChem (CID 109411390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).