1-bromo-4-methoxyimidazole

C4H5BrN2O — CID 90815586

IUPAC1-bromo-4-methoxyimidazole
SMILESCOc1cn(Br)cn1
InChIInChI=1S/C4H5BrN2O/c1-8-4-2-7(5)3-6-4/h2-3H,1H3
InChIKeyTVBLVSAPTUKQOV-UHFFFAOYSA-N
MW177.00 g/mol
LogP1.05
Rot. Bonds1

About 1-bromo-4-methoxyimidazole

1-bromo-4-methoxyimidazole (PubChem CID 90815586) has the molecular formula C4H5BrN2O and a molecular weight of 177.00 g/mol. Its IUPAC name is 1-bromo-4-methoxyimidazole.

Molecular Properties

Compound Name1-bromo-4-methoxyimidazole
PubChem CID90815586
Molecular FormulaC4H5BrN2O
Molecular Weight177.00 g/mol
Exact Mass175.96
IUPAC Name1-bromo-4-methoxyimidazole
SMILESCOc1cn(Br)cn1
InChIInChI=1S/C4H5BrN2O/c1-8-4-2-7(5)3-6-4/h2-3H,1H3
InChIKeyTVBLVSAPTUKQOV-UHFFFAOYSA-N
XLogP1.05
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.00
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-methoxyimidazole?
The IUPAC name of 1-bromo-4-methoxyimidazole (CID 90815586) is 1-bromo-4-methoxyimidazole.
What is the SMILES notation for 1-bromo-4-methoxyimidazole?
The canonical SMILES for 1-bromo-4-methoxyimidazole is COc1cn(Br)cn1.
What is the InChIKey of 1-bromo-4-methoxyimidazole?
The InChIKey is TVBLVSAPTUKQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2O/c1-8-4-2-7(5)3-6-4/h2-3H,1H3.
What are the key properties of 1-bromo-4-methoxyimidazole?
1-bromo-4-methoxyimidazole has a molecular weight of 177.00 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-methoxyimidazole is sourced from PubChem (CID 90815586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).