5-bromo-4-methoxy-1H-imidazole

C4H5BrN2O — CID 153280117

IUPAC5-bromo-4-methoxy-1H-imidazole
SMILESCOc1nc[nH]c1Br
InChIInChI=1S/C4H5BrN2O/c1-8-4-3(5)6-2-7-4/h2H,1H3,(H,6,7)
InChIKeyCBPJZAZUMRNCFI-UHFFFAOYSA-N
MW177.00 g/mol
LogP1.18
Rot. Bonds1

About 5-bromo-4-methoxy-1H-imidazole

5-bromo-4-methoxy-1H-imidazole (PubChem CID 153280117) has the molecular formula C4H5BrN2O and a molecular weight of 177.00 g/mol. Its IUPAC name is 5-bromo-4-methoxy-1H-imidazole.

Molecular Properties

Compound Name5-bromo-4-methoxy-1H-imidazole
PubChem CID153280117
Molecular FormulaC4H5BrN2O
Molecular Weight177.00 g/mol
Exact Mass175.96
IUPAC Name5-bromo-4-methoxy-1H-imidazole
SMILESCOc1nc[nH]c1Br
InChIInChI=1S/C4H5BrN2O/c1-8-4-3(5)6-2-7-4/h2H,1H3,(H,6,7)
InChIKeyCBPJZAZUMRNCFI-UHFFFAOYSA-N
XLogP1.18
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.00
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-1H-imidazole?
The IUPAC name of 5-bromo-4-methoxy-1H-imidazole (CID 153280117) is 5-bromo-4-methoxy-1H-imidazole.
What is the SMILES notation for 5-bromo-4-methoxy-1H-imidazole?
The canonical SMILES for 5-bromo-4-methoxy-1H-imidazole is COc1nc[nH]c1Br.
What is the InChIKey of 5-bromo-4-methoxy-1H-imidazole?
The InChIKey is CBPJZAZUMRNCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O/c1-8-4-3(5)6-2-7-4/h2H,1H3,(H,6,7).
What are the key properties of 5-bromo-4-methoxy-1H-imidazole?
5-bromo-4-methoxy-1H-imidazole has a molecular weight of 177.00 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-1H-imidazole is sourced from PubChem (CID 153280117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).