4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol

C10H9BrN2O2 — CID 117187368

IUPAC4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol
SMILESOc1ccc(OCc2ncc(Br)[nH]2)cc1
InChIInChI=1S/C10H9BrN2O2/c11-9-5-12-10(13-9)6-15-8-3-1-7(14)2-4-8/h1-5,14H,6H2,(H,12,13)
InChIKeyGILUHUOOBQMDQK-UHFFFAOYSA-N
MW269.10 g/mol
LogP2.46
Rot. Bonds3

About 4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol

4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol (PubChem CID 117187368) has the molecular formula C10H9BrN2O2 and a molecular weight of 269.10 g/mol. Its IUPAC name is 4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol
PubChem CID117187368
Molecular FormulaC10H9BrN2O2
Molecular Weight269.10 g/mol
Exact Mass267.98
IUPAC Name4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol
SMILESOc1ccc(OCc2ncc(Br)[nH]2)cc1
InChIInChI=1S/C10H9BrN2O2/c11-9-5-12-10(13-9)6-15-8-3-1-7(14)2-4-8/h1-5,14H,6H2,(H,12,13)
InChIKeyGILUHUOOBQMDQK-UHFFFAOYSA-N
XLogP2.46
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol?
The IUPAC name of 4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol (CID 117187368) is 4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol.
What is the SMILES notation for 4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol?
The canonical SMILES for 4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol is Oc1ccc(OCc2ncc(Br)[nH]2)cc1.
What is the InChIKey of 4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol?
The InChIKey is GILUHUOOBQMDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2/c11-9-5-12-10(13-9)6-15-8-3-1-7(14)2-4-8/h1-5,14H,6H2,(H,12,13).
What are the key properties of 4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol?
4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol has a molecular weight of 269.10 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-1H-imidazol-2-yl)methoxy]phenol is sourced from PubChem (CID 117187368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).