2-(1-bromoethoxymethyl)-1H-imidazole

C6H9BrN2O — CID 141093842

IUPAC2-(1-bromoethoxymethyl)-1H-imidazole
SMILESCC(Br)OCc1ncc[nH]1
InChIInChI=1S/C6H9BrN2O/c1-5(7)10-4-6-8-2-3-9-6/h2-3,5H,4H2,1H3,(H,8,9)
InChIKeyAZCAJEVFLMJBHA-UHFFFAOYSA-N
MW205.06 g/mol
LogP1.67
Rot. Bonds3

About 2-(1-bromoethoxymethyl)-1H-imidazole

2-(1-bromoethoxymethyl)-1H-imidazole (PubChem CID 141093842) has the molecular formula C6H9BrN2O and a molecular weight of 205.06 g/mol. Its IUPAC name is 2-(1-bromoethoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1-bromoethoxymethyl)-1H-imidazole
PubChem CID141093842
Molecular FormulaC6H9BrN2O
Molecular Weight205.06 g/mol
Exact Mass203.99
IUPAC Name2-(1-bromoethoxymethyl)-1H-imidazole
SMILESCC(Br)OCc1ncc[nH]1
InChIInChI=1S/C6H9BrN2O/c1-5(7)10-4-6-8-2-3-9-6/h2-3,5H,4H2,1H3,(H,8,9)
InChIKeyAZCAJEVFLMJBHA-UHFFFAOYSA-N
XLogP1.67
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromopropyl)-1H-imidazole
CID 61096377
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
1H-imidazol-2-ylmethyl (2S)-2-hydroxypropanoate
CID 129322465
2-(sulfanyloxymethyl)-1H-imidazole
CID 170244271
2-(2-bromo-4-methylpentyl)-1H-imidazole
CID 61096577
N-(1H-imidazol-2-ylmethoxy)methanimine;dihydrochloride
CID 158093289
N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
CID 59825984
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-(fluoromethyl)-1H-imidazole;hydrochloride
CID 70625153
ethane;2-ethyl-1H-imidazole
CID 144736598
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589
1-ethoxy-2-(1H-imidazol-2-yl)ethanol
CID 166788426

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethoxymethyl)-1H-imidazole?
The IUPAC name of 2-(1-bromoethoxymethyl)-1H-imidazole (CID 141093842) is 2-(1-bromoethoxymethyl)-1H-imidazole.
What is the SMILES notation for 2-(1-bromoethoxymethyl)-1H-imidazole?
The canonical SMILES for 2-(1-bromoethoxymethyl)-1H-imidazole is CC(Br)OCc1ncc[nH]1.
What is the InChIKey of 2-(1-bromoethoxymethyl)-1H-imidazole?
The InChIKey is AZCAJEVFLMJBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O/c1-5(7)10-4-6-8-2-3-9-6/h2-3,5H,4H2,1H3,(H,8,9).
What are the key properties of 2-(1-bromoethoxymethyl)-1H-imidazole?
2-(1-bromoethoxymethyl)-1H-imidazole has a molecular weight of 205.06 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethoxymethyl)-1H-imidazole is sourced from PubChem (CID 141093842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).