2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole

C12H19BrN2 — CID 107182298

IUPAC2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole
SMILESCC1(C)CCCC1C(Br)Cc1ncc[nH]1
InChIInChI=1S/C12H19BrN2/c1-12(2)5-3-4-9(12)10(13)8-11-14-6-7-15-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyXUGIXSHIIBQZSN-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.54
Rot. Bonds3

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

2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole (PubChem CID 107182298) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole
PubChem CID107182298
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole
SMILESCC1(C)CCCC1C(Br)Cc1ncc[nH]1
InChIInChI=1S/C12H19BrN2/c1-12(2)5-3-4-9(12)10(13)8-11-14-6-7-15-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyXUGIXSHIIBQZSN-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.54
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-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole
CID 61096378
1-(2,2-dimethylcyclopropyl)-2-(1H-imidazol-2-yl)ethanamine
CID 107000929
2-(2-bromopropyl)-1H-imidazole
CID 61096377
2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanol
CID 106828317
1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene
CID 107183698
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole
CID 62719865
1-cyclobutyl-2-(1H-imidazol-2-yl)ethanol
CID 61083393
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene
CID 107183620
4-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1,2-dimethoxybenzene
CID 107183640
N-ethyl-2-(1H-imidazol-2-yl)-1-(1-methylcyclohexyl)ethanamine
CID 106826923

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole (CID 107182298) is 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole is CC1(C)CCCC1C(Br)Cc1ncc[nH]1.
What is the InChIKey of 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole?
The InChIKey is XUGIXSHIIBQZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c1-12(2)5-3-4-9(12)10(13)8-11-14-6-7-15-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole?
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole has a molecular weight of 271.20 g/mol, XLogP of 3.54, 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-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole is sourced from PubChem (CID 107182298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).