2-bromo-1-(ethoxymethyl)imidazole

C6H9BrN2O — CID 2773257

IUPAC2-bromo-1-(ethoxymethyl)imidazole
SMILESCCOCn1ccnc1Br
InChIInChI=1S/C6H9BrN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
InChIKeyFZLPPSCLJGMJCZ-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.64
Rot. Bonds3

About 2-bromo-1-(ethoxymethyl)imidazole

2-bromo-1-(ethoxymethyl)imidazole (PubChem CID 2773257) has the molecular formula C6H9BrN2O and a molecular weight of 205.05 g/mol. Its IUPAC name is 2-bromo-1-(ethoxymethyl)imidazole.

Molecular Properties

Compound Name2-bromo-1-(ethoxymethyl)imidazole
PubChem CID2773257
Molecular FormulaC6H9BrN2O
Molecular Weight205.05 g/mol
Exact Mass203.99
IUPAC Name2-bromo-1-(ethoxymethyl)imidazole
SMILESCCOCn1ccnc1Br
InChIInChI=1S/C6H9BrN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
InChIKeyFZLPPSCLJGMJCZ-UHFFFAOYSA-N
XLogP1.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(ethoxymethyl)imidazole?
The IUPAC name of 2-bromo-1-(ethoxymethyl)imidazole (CID 2773257) is 2-bromo-1-(ethoxymethyl)imidazole.
What is the SMILES notation for 2-bromo-1-(ethoxymethyl)imidazole?
The canonical SMILES for 2-bromo-1-(ethoxymethyl)imidazole is CCOCn1ccnc1Br.
What is the InChIKey of 2-bromo-1-(ethoxymethyl)imidazole?
The InChIKey is FZLPPSCLJGMJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3.
What are the key properties of 2-bromo-1-(ethoxymethyl)imidazole?
2-bromo-1-(ethoxymethyl)imidazole has a molecular weight of 205.05 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(ethoxymethyl)imidazole is sourced from PubChem (CID 2773257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).