2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol

C11H9BrF2N2O — CID 106266549

IUPAC2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1ncc[nH]1
InChIInChI=1S/C11H9BrF2N2O/c12-7-1-2-8(13)6(10(7)14)5-9(17)11-15-3-4-16-11/h1-4,9,17H,5H2,(H,15,16)
InChIKeyOMRMOTKIIXQXHC-UHFFFAOYSA-N
MW303.11 g/mol
LogP2.73
Rot. Bonds3

About 2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol

2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol (PubChem CID 106266549) has the molecular formula C11H9BrF2N2O and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol
PubChem CID106266549
Molecular FormulaC11H9BrF2N2O
Molecular Weight303.11 g/mol
Exact Mass301.99
IUPAC Name2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1ncc[nH]1
InChIInChI=1S/C11H9BrF2N2O/c12-7-1-2-8(13)6(10(7)14)5-9(17)11-15-3-4-16-11/h1-4,9,17H,5H2,(H,15,16)
InChIKeyOMRMOTKIIXQXHC-UHFFFAOYSA-N
XLogP2.73
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromo-2,6-difluorophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114165938
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dibromo-2-pyridinyl)ethanol
CID 106265600
1-(3-bromo-2,6-difluorophenyl)-3-pyridin-4-ylpropan-2-ol
CID 106266424
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
2-(4-chloro-3-fluorophenyl)-1-(1H-imidazol-2-yl)ethanol
CID 107884317
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 106274418
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
[2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-pyridinyl)ethyl]hydrazine
CID 106271188
2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 106274378
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol (CID 106266549) is 2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol is OC(Cc1c(F)ccc(Br)c1F)c1ncc[nH]1.
What is the InChIKey of 2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol?
The InChIKey is OMRMOTKIIXQXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF2N2O/c12-7-1-2-8(13)6(10(7)14)5-9(17)11-15-3-4-16-11/h1-4,9,17H,5H2,(H,15,16).
What are the key properties of 2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol?
2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol has a molecular weight of 303.11 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,6-difluorophenyl)-1-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 106266549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).