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

C14H16BrFN2O — CID 66131048

IUPAC2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol
SMILESCCCn1cncc1C(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C14H16BrFN2O/c1-2-5-18-9-17-8-13(18)14(19)7-10-6-11(16)3-4-12(10)15/h3-4,6,8-9,14,19H,2,5,7H2,1H3
InChIKeyJOVVFSNXZHOIHW-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.47
Rot. Bonds5

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

2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol (PubChem CID 66131048) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol
PubChem CID66131048
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol
SMILESCCCn1cncc1C(O)Cc1cc(F)ccc1Br
InChIInChI=1S/C14H16BrFN2O/c1-2-5-18-9-17-8-13(18)14(19)7-10-6-11(16)3-4-12(10)15/h3-4,6,8-9,14,19H,2,5,7H2,1H3
InChIKeyJOVVFSNXZHOIHW-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 114346924
2-(2-fluoro-3-methoxyphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 104793189
(2,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66132426
(3,5-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66131636
(5-fluoro-2-methoxyphenyl)-(3-propylimidazol-4-yl)methanol
CID 82769158
2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol
CID 104802227
2-(3-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129442
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129440
2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131633
(3,4-difluorophenyl)-(3-propylimidazol-4-yl)methanol
CID 66129636
1-(2-bromo-5-fluorophenyl)nonan-2-ol
CID 65149021
3-(2-bromo-5-fluorophenyl)-2-fluoropropanoic acid
CID 130820076

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol (CID 66131048) is 2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol is CCCn1cncc1C(O)Cc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol?
The InChIKey is JOVVFSNXZHOIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-2-5-18-9-17-8-13(18)14(19)7-10-6-11(16)3-4-12(10)15/h3-4,6,8-9,14,19H,2,5,7H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol?
2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol has a molecular weight of 327.20 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol is sourced from PubChem (CID 66131048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).