2-(3-bromo-2-methylpropyl)-1-methylimidazole

C8H13BrN2 — CID 64671780

IUPAC2-(3-bromo-2-methylpropyl)-1-methylimidazole
SMILESCC(CBr)Cc1nccn1C
InChIInChI=1S/C8H13BrN2/c1-7(6-9)5-8-10-3-4-11(8)2/h3-4,7H,5-6H2,1-2H3
InChIKeyOBPZGHCSHMQBJI-UHFFFAOYSA-N
MW217.11 g/mol
LogP1.99
Rot. Bonds3

About 2-(3-bromo-2-methylpropyl)-1-methylimidazole

2-(3-bromo-2-methylpropyl)-1-methylimidazole (PubChem CID 64671780) has the molecular formula C8H13BrN2 and a molecular weight of 217.11 g/mol. Its IUPAC name is 2-(3-bromo-2-methylpropyl)-1-methylimidazole.

Molecular Properties

Compound Name2-(3-bromo-2-methylpropyl)-1-methylimidazole
PubChem CID64671780
Molecular FormulaC8H13BrN2
Molecular Weight217.11 g/mol
Exact Mass216.03
IUPAC Name2-(3-bromo-2-methylpropyl)-1-methylimidazole
SMILESCC(CBr)Cc1nccn1C
InChIInChI=1S/C8H13BrN2/c1-7(6-9)5-8-10-3-4-11(8)2/h3-4,7H,5-6H2,1-2H3
InChIKeyOBPZGHCSHMQBJI-UHFFFAOYSA-N
XLogP1.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.11
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 64664391
N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 64666233
2-(2-bromopentyl)-1-methylimidazole
CID 63203989
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-(2-imidazol-1-ylpropyl)-1-methylimidazole
CID 90975843
[4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105220503
2-(4-bromopentyl)-1-methylimidazole
CID 79761341
3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 115580390
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-(fluoromethyl)-1-methylimidazole
CID 11679811
2-(1-methylimidazol-2-yl)-1-pyrazin-2-ylethanol
CID 79752608
3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116711834

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-methylpropyl)-1-methylimidazole?
The IUPAC name of 2-(3-bromo-2-methylpropyl)-1-methylimidazole (CID 64671780) is 2-(3-bromo-2-methylpropyl)-1-methylimidazole.
What is the SMILES notation for 2-(3-bromo-2-methylpropyl)-1-methylimidazole?
The canonical SMILES for 2-(3-bromo-2-methylpropyl)-1-methylimidazole is CC(CBr)Cc1nccn1C.
What is the InChIKey of 2-(3-bromo-2-methylpropyl)-1-methylimidazole?
The InChIKey is OBPZGHCSHMQBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2/c1-7(6-9)5-8-10-3-4-11(8)2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-(3-bromo-2-methylpropyl)-1-methylimidazole?
2-(3-bromo-2-methylpropyl)-1-methylimidazole has a molecular weight of 217.11 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-methylpropyl)-1-methylimidazole is sourced from PubChem (CID 64671780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).