2-(2-bromo-3-ethylimidazol-4-yl)ethanol

C7H11BrN2O — CID 117259977

IUPAC2-(2-bromo-3-ethylimidazol-4-yl)ethanol
SMILESCCn1c(CCO)cnc1Br
InChIInChI=1S/C7H11BrN2O/c1-2-10-6(3-4-11)5-9-7(10)8/h5,11H,2-4H2,1H3
InChIKeyHXADHGNVQXDOIL-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.20
Rot. Bonds3

About 2-(2-bromo-3-ethylimidazol-4-yl)ethanol

2-(2-bromo-3-ethylimidazol-4-yl)ethanol (PubChem CID 117259977) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 2-(2-bromo-3-ethylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-ethylimidazol-4-yl)ethanol
PubChem CID117259977
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name2-(2-bromo-3-ethylimidazol-4-yl)ethanol
SMILESCCn1c(CCO)cnc1Br
InChIInChI=1S/C7H11BrN2O/c1-2-10-6(3-4-11)5-9-7(10)8/h5,11H,2-4H2,1H3
InChIKeyHXADHGNVQXDOIL-UHFFFAOYSA-N
XLogP1.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-ethyl-5-propan-2-ylimidazole
CID 117260098
2-bromo-3-ethylimidazole-4-carboxylic acid
CID 83486435
(3-ethyl-2-methylimidazol-4-yl)methanol
CID 117193179
4-(2-bromo-3-ethylimidazol-4-yl)piperidine
CID 117260024
(2-bromo-3-propan-2-ylimidazol-4-yl)methanamine
CID 117192918
5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole
CID 117190585
2-(5-bromo-1-methylpyrazol-4-yl)ethanol
CID 84672842
5-(chloromethyl)-1-ethyl-2-methylimidazole
CID 130118504
2,5-dibromo-1-(2-methylpropyl)imidazole
CID 172992452
1-ethyl-5-(ethylsulfanylmethyl)imidazol-2-amine
CID 117193137
2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
CID 55254160
5-(aminomethyl)-1-ethylimidazole-2-carboxylic acid
CID 117193196

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-ethylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2-bromo-3-ethylimidazol-4-yl)ethanol (CID 117259977) is 2-(2-bromo-3-ethylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-ethylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2-bromo-3-ethylimidazol-4-yl)ethanol is CCn1c(CCO)cnc1Br.
What is the InChIKey of 2-(2-bromo-3-ethylimidazol-4-yl)ethanol?
The InChIKey is HXADHGNVQXDOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-2-10-6(3-4-11)5-9-7(10)8/h5,11H,2-4H2,1H3.
What are the key properties of 2-(2-bromo-3-ethylimidazol-4-yl)ethanol?
2-(2-bromo-3-ethylimidazol-4-yl)ethanol has a molecular weight of 219.08 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-ethylimidazol-4-yl)ethanol is sourced from PubChem (CID 117259977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).