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

C13H16BrN3O — CID 104802227

IUPAC2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol
SMILESCCCn1cncc1C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C13H16BrN3O/c1-2-5-17-9-15-8-12(17)13(18)6-11-4-3-10(14)7-16-11/h3-4,7-9,13,18H,2,5-6H2,1H3
InChIKeyZNKFMROWGZFEEN-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.73
Rot. Bonds5

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

2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol (PubChem CID 104802227) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol
PubChem CID104802227
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol
SMILESCCCn1cncc1C(O)Cc1ccc(Br)cn1
InChIInChI=1S/C13H16BrN3O/c1-2-5-17-9-15-8-12(17)13(18)6-11-4-3-10(14)7-16-11/h3-4,7-9,13,18H,2,5-6H2,1H3
InChIKeyZNKFMROWGZFEEN-UHFFFAOYSA-N
XLogP2.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554148
2-(4-bromophenyl)-1-(3-ethylimidazol-4-yl)ethanol
CID 66134532
2-(5-bromo-2-pyridinyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105126285
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129440
2-(2-bromo-5-fluorophenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131048
2-(3-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 66129442
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
2-(2,5-dimethylpyrazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131633
2-(4-fluoro-2-methylphenyl)-1-(3-propylimidazol-4-yl)ethanol
CID 114346924
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(3-propylimidazol-4-yl)ethanol
CID 66131445
1-[3-[(4-bromophenyl)methyl]imidazol-4-yl]propan-1-ol
CID 22466867
(3-bromofuran-2-yl)-(3-propylimidazol-4-yl)methanol
CID 66129848

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol (CID 104802227) is 2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol is CCCn1cncc1C(O)Cc1ccc(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol?
The InChIKey is ZNKFMROWGZFEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-2-5-17-9-15-8-12(17)13(18)6-11-4-3-10(14)7-16-11/h3-4,7-9,13,18H,2,5-6H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol?
2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol has a molecular weight of 310.19 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(3-propylimidazol-4-yl)ethanol is sourced from PubChem (CID 104802227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).