2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol

C14H16BrFN2O — CID 66163449

IUPAC2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCC(C)n1cncc1C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H16BrFN2O/c1-9(2)18-8-17-7-13(18)14(19)6-10-5-11(15)3-4-12(10)16/h3-5,7-9,14,19H,6H2,1-2H3
InChIKeyGNSRKYXGJJIIOK-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.64
Rot. Bonds4

About 2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol (PubChem CID 66163449) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
PubChem CID66163449
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
SMILESCC(C)n1cncc1C(O)Cc1cc(Br)ccc1F
InChIInChI=1S/C14H16BrFN2O/c1-9(2)18-8-17-7-13(18)14(19)6-10-5-11(15)3-4-12(10)16/h3-5,7-9,14,19H,6H2,1-2H3
InChIKeyGNSRKYXGJJIIOK-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072
(5-bromo-2-fluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 79742818
2-(5-bromo-2-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 105086618
2-(5-bromo-2-fluorophenyl)-1-(2-ethyl-5-methylpyrazol-3-yl)ethanol
CID 105086539
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
2-(2-methoxyphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162236
2-(3-bromothiophen-2-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162836
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
(3-bromo-2,6-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 106941390
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721551

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol (CID 66163449) is 2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol is CC(C)n1cncc1C(O)Cc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
The InChIKey is GNSRKYXGJJIIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-9(2)18-8-17-7-13(18)14(19)6-10-5-11(15)3-4-12(10)16/h3-5,7-9,14,19H,6H2,1-2H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol has a molecular weight of 327.20 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol is sourced from PubChem (CID 66163449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).