5-bromo-1-methyl-2-propan-2-ylimidazole

C7H11BrN2 — CID 58337022

IUPAC5-bromo-1-methyl-2-propan-2-ylimidazole
SMILESCC(C)c1ncc(Br)n1C
InChIInChI=1S/C7H11BrN2/c1-5(2)7-9-4-6(8)10(7)3/h4-5H,1-3H3
InChIKeyJYNYCZMDFGQQLY-UHFFFAOYSA-N
MW203.08 g/mol
LogP2.31
Rot. Bonds1

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

5-bromo-1-methyl-2-propan-2-ylimidazole (PubChem CID 58337022) has the molecular formula C7H11BrN2 and a molecular weight of 203.08 g/mol. Its IUPAC name is 5-bromo-1-methyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name5-bromo-1-methyl-2-propan-2-ylimidazole
PubChem CID58337022
Molecular FormulaC7H11BrN2
Molecular Weight203.08 g/mol
Exact Mass202.01
IUPAC Name5-bromo-1-methyl-2-propan-2-ylimidazole
SMILESCC(C)c1ncc(Br)n1C
InChIInChI=1S/C7H11BrN2/c1-5(2)7-9-4-6(8)10(7)3/h4-5H,1-3H3
InChIKeyJYNYCZMDFGQQLY-UHFFFAOYSA-N
XLogP2.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.08
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2-propan-2-ylimidazole?
The IUPAC name of 5-bromo-1-methyl-2-propan-2-ylimidazole (CID 58337022) is 5-bromo-1-methyl-2-propan-2-ylimidazole.
What is the SMILES notation for 5-bromo-1-methyl-2-propan-2-ylimidazole?
The canonical SMILES for 5-bromo-1-methyl-2-propan-2-ylimidazole is CC(C)c1ncc(Br)n1C.
What is the InChIKey of 5-bromo-1-methyl-2-propan-2-ylimidazole?
The InChIKey is JYNYCZMDFGQQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2/c1-5(2)7-9-4-6(8)10(7)3/h4-5H,1-3H3.
What are the key properties of 5-bromo-1-methyl-2-propan-2-ylimidazole?
5-bromo-1-methyl-2-propan-2-ylimidazole has a molecular weight of 203.08 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2-propan-2-ylimidazole is sourced from PubChem (CID 58337022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).