2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole

C9H13BrN2 — CID 61096378

IUPAC2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole
SMILESCC1CC1C(Br)Cc1ncc[nH]1
InChIInChI=1S/C9H13BrN2/c1-6-4-7(6)8(10)5-9-11-2-3-12-9/h2-3,6-8H,4-5H2,1H3,(H,11,12)
InChIKeyPRJRORIEWDWJJY-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.37
Rot. Bonds3

About 2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole

2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole (PubChem CID 61096378) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole
PubChem CID61096378
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole
SMILESCC1CC1C(Br)Cc1ncc[nH]1
InChIInChI=1S/C9H13BrN2/c1-6-4-7(6)8(10)5-9-11-2-3-12-9/h2-3,6-8H,4-5H2,1H3,(H,11,12)
InChIKeyPRJRORIEWDWJJY-UHFFFAOYSA-N
XLogP2.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-2-cycloheptylethyl)-1H-imidazole
CID 62588339
2-(2-bromopropyl)-1H-imidazole
CID 61096377
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole
CID 107182298
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole
CID 65152733
2-(2-bromo-4-methylpentyl)-1H-imidazole
CID 61096577
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole
CID 61096176
2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole
CID 62719865
2-[2-bromo-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 61096174
1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine
CID 107000929
1-cyclobutyl-2-(1H-imidazol-2-yl)ethanol
CID 61083393
2-(1H-imidazol-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
CID 81330415

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole (CID 61096378) is 2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole is CC1CC1C(Br)Cc1ncc[nH]1.
What is the InChIKey of 2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole?
The InChIKey is PRJRORIEWDWJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-6-4-7(6)8(10)5-9-11-2-3-12-9/h2-3,6-8H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole?
2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole has a molecular weight of 229.12 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole is sourced from PubChem (CID 61096378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).