4-bromo-2-methyl-1-(2-methylpropyl)imidazole

C8H13BrN2 — CID 130138605

IUPAC4-bromo-2-methyl-1-(2-methylpropyl)imidazole
SMILESCc1nc(Br)cn1CC(C)C
InChIInChI=1S/C8H13BrN2/c1-6(2)4-11-5-8(9)10-7(11)3/h5-6H,4H2,1-3H3
InChIKeyQKJYTMHEWCWCBH-UHFFFAOYSA-N
MW217.11 g/mol
LogP2.61
Rot. Bonds2

About 4-bromo-2-methyl-1-(2-methylpropyl)imidazole

4-bromo-2-methyl-1-(2-methylpropyl)imidazole (PubChem CID 130138605) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 4-bromo-2-methyl-1-(2-methylpropyl)imidazole.

Molecular Properties

Compound Name4-bromo-2-methyl-1-(2-methylpropyl)imidazole
PubChem CID130138605
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name4-bromo-2-methyl-1-(2-methylpropyl)imidazole
SMILESCc1nc(Br)cn1CC(C)C
InChIInChI=1S/C8H13BrN2/c1-6(2)4-11-5-8(9)10-7(11)3/h5-6H,4H2,1-3H3
InChIKeyQKJYTMHEWCWCBH-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-2-methyl-1-(2-methylpropyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-1-(2-methylpropyl)imidazole?
The IUPAC name of 4-bromo-2-methyl-1-(2-methylpropyl)imidazole (CID 130138605) is 4-bromo-2-methyl-1-(2-methylpropyl)imidazole.
What is the SMILES notation for 4-bromo-2-methyl-1-(2-methylpropyl)imidazole?
The canonical SMILES for 4-bromo-2-methyl-1-(2-methylpropyl)imidazole is Cc1nc(Br)cn1CC(C)C.
What is the InChIKey of 4-bromo-2-methyl-1-(2-methylpropyl)imidazole?
The InChIKey is QKJYTMHEWCWCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2/c1-6(2)4-11-5-8(9)10-7(11)3/h5-6H,4H2,1-3H3.
What are the key properties of 4-bromo-2-methyl-1-(2-methylpropyl)imidazole?
4-bromo-2-methyl-1-(2-methylpropyl)imidazole has a molecular weight of 217.11 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-1-(2-methylpropyl)imidazole is sourced from PubChem (CID 130138605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).