2-bromo-1-ethyl-5-propan-2-ylimidazole

C8H13BrN2 — CID 117260098

IUPAC2-bromo-1-ethyl-5-propan-2-ylimidazole
SMILESCCn1c(C(C)C)cnc1Br
InChIInChI=1S/C8H13BrN2/c1-4-11-7(6(2)3)5-10-8(11)9/h5-6H,4H2,1-3H3
InChIKeyWWUFAZLGJSJNJG-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.79
Rot. Bonds2

About 2-bromo-1-ethyl-5-propan-2-ylimidazole

2-bromo-1-ethyl-5-propan-2-ylimidazole (PubChem CID 117260098) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 2-bromo-1-ethyl-5-propan-2-ylimidazole.

Molecular Properties

Compound Name2-bromo-1-ethyl-5-propan-2-ylimidazole
PubChem CID117260098
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name2-bromo-1-ethyl-5-propan-2-ylimidazole
SMILESCCn1c(C(C)C)cnc1Br
InChIInChI=1S/C8H13BrN2/c1-4-11-7(6(2)3)5-10-8(11)9/h5-6H,4H2,1-3H3
InChIKeyWWUFAZLGJSJNJG-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-3-ethylimidazole-4-carboxylic acid
CID 83486435
2-(2-bromo-3-ethylimidazol-4-yl)ethanol
CID 117259977
2,5-dibromo-1-(2-methylpropyl)imidazole
CID 172992452
1-(2-methoxyethyl)-2,5-di(propan-2-yl)imidazole
CID 167352872
4-(2-bromo-3-ethylimidazol-4-yl)piperidine
CID 117260024
2,3-dichloro-1-ethyl-5-propan-2-ylpyrrole
CID 146323553
6,8-dibromo-3-propan-2-ylimidazo[1,2-a]pyrazine
CID 146674151
4-ethyl-5-propan-2-ylthieno[3,2-b]pyrrole
CID 155280673
2,5-di(propan-2-yl)imidazol-1-amine
CID 126670780
(2-bromo-3-propan-2-ylimidazol-4-yl)methanamine
CID 117192918
3-bromo-4-ethyl-1H-1,2,4-triazole-5-thione
CID 163359565
5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole
CID 117190585

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-5-propan-2-ylimidazole?
The IUPAC name of 2-bromo-1-ethyl-5-propan-2-ylimidazole (CID 117260098) is 2-bromo-1-ethyl-5-propan-2-ylimidazole.
What is the SMILES notation for 2-bromo-1-ethyl-5-propan-2-ylimidazole?
The canonical SMILES for 2-bromo-1-ethyl-5-propan-2-ylimidazole is CCn1c(C(C)C)cnc1Br.
What is the InChIKey of 2-bromo-1-ethyl-5-propan-2-ylimidazole?
The InChIKey is WWUFAZLGJSJNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2/c1-4-11-7(6(2)3)5-10-8(11)9/h5-6H,4H2,1-3H3.
What are the key properties of 2-bromo-1-ethyl-5-propan-2-ylimidazole?
2-bromo-1-ethyl-5-propan-2-ylimidazole has a molecular weight of 217.11 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-5-propan-2-ylimidazole is sourced from PubChem (CID 117260098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).