2-bromo-1-ethyl-3-methyl-2H-imidazole

C6H11BrN2 — CID 67311346

IUPAC2-bromo-1-ethyl-3-methyl-2H-imidazole
SMILESCCN1C=CN(C)C1Br
InChIInChI=1S/C6H11BrN2/c1-3-9-5-4-8(2)6(9)7/h4-6H,3H2,1-2H3
InChIKeyLVNWRCUZCYLLND-UHFFFAOYSA-N
MW191.07 g/mol
LogP1.40
Rot. Bonds1

About 2-bromo-1-ethyl-3-methyl-2H-imidazole

2-bromo-1-ethyl-3-methyl-2H-imidazole (PubChem CID 67311346) has the molecular formula C6H11BrN2 and a molecular weight of 191.07 g/mol. Its IUPAC name is 2-bromo-1-ethyl-3-methyl-2H-imidazole.

Molecular Properties

Compound Name2-bromo-1-ethyl-3-methyl-2H-imidazole
PubChem CID67311346
Molecular FormulaC6H11BrN2
Molecular Weight191.07 g/mol
Exact Mass190.01
IUPAC Name2-bromo-1-ethyl-3-methyl-2H-imidazole
SMILESCCN1C=CN(C)C1Br
InChIInChI=1S/C6H11BrN2/c1-3-9-5-4-8(2)6(9)7/h4-6H,3H2,1-2H3
InChIKeyLVNWRCUZCYLLND-UHFFFAOYSA-N
XLogP1.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-3-methyl-2H-imidazole?
The IUPAC name of 2-bromo-1-ethyl-3-methyl-2H-imidazole (CID 67311346) is 2-bromo-1-ethyl-3-methyl-2H-imidazole.
What is the SMILES notation for 2-bromo-1-ethyl-3-methyl-2H-imidazole?
The canonical SMILES for 2-bromo-1-ethyl-3-methyl-2H-imidazole is CCN1C=CN(C)C1Br.
What is the InChIKey of 2-bromo-1-ethyl-3-methyl-2H-imidazole?
The InChIKey is LVNWRCUZCYLLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN2/c1-3-9-5-4-8(2)6(9)7/h4-6H,3H2,1-2H3.
What are the key properties of 2-bromo-1-ethyl-3-methyl-2H-imidazole?
2-bromo-1-ethyl-3-methyl-2H-imidazole has a molecular weight of 191.07 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-3-methyl-2H-imidazole is sourced from PubChem (CID 67311346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).