2-bromo-5-imidazol-1-ylphenol

C9H7BrN2O — CID 84701020

IUPAC2-bromo-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1Br
InChIInChI=1S/C9H7BrN2O/c10-8-2-1-7(5-9(8)13)12-4-3-11-6-12/h1-6,13H
InChIKeyRKKOBLSKLIZFQR-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.34
Rot. Bonds1

About 2-bromo-5-imidazol-1-ylphenol

2-bromo-5-imidazol-1-ylphenol (PubChem CID 84701020) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-bromo-5-imidazol-1-ylphenol.

Molecular Properties

Compound Name2-bromo-5-imidazol-1-ylphenol
PubChem CID84701020
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name2-bromo-5-imidazol-1-ylphenol
SMILESOc1cc(-n2ccnc2)ccc1Br
InChIInChI=1S/C9H7BrN2O/c10-8-2-1-7(5-9(8)13)12-4-3-11-6-12/h1-6,13H
InChIKeyRKKOBLSKLIZFQR-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-imidazol-1-ylphenyl)methanamine
CID 84707582
methyl 2-bromo-4-imidazol-1-ylbenzoate
CID 131555290
1-(3,5-dibromo-4-methylphenyl)imidazole
CID 67554928
4-imidazol-1-yl-2-methylaniline
CID 14450260
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
2-bromo-5-imidazol-1-ylpyridine
CID 66521352
1-naphthalen-2-ylimidazole
CID 23644748
5-imidazol-1-yl-2-(3-nitroso-1,2,4-triazin-6-yl)phenol
CID 166973853
(4-imidazol-1-ylphenyl)arsane
CID 173134933
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587
4-bromo-3-imidazol-1-ylbenzoic acid
CID 84711748
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-imidazol-1-ylphenol?
The IUPAC name of 2-bromo-5-imidazol-1-ylphenol (CID 84701020) is 2-bromo-5-imidazol-1-ylphenol.
What is the SMILES notation for 2-bromo-5-imidazol-1-ylphenol?
The canonical SMILES for 2-bromo-5-imidazol-1-ylphenol is Oc1cc(-n2ccnc2)ccc1Br.
What is the InChIKey of 2-bromo-5-imidazol-1-ylphenol?
The InChIKey is RKKOBLSKLIZFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-8-2-1-7(5-9(8)13)12-4-3-11-6-12/h1-6,13H.
What are the key properties of 2-bromo-5-imidazol-1-ylphenol?
2-bromo-5-imidazol-1-ylphenol has a molecular weight of 239.07 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-imidazol-1-ylphenol is sourced from PubChem (CID 84701020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).