2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole

C12H13BrN2 — CID 61096176

IUPAC2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole
SMILESCc1ccc(C(Br)Cc2ncc[nH]2)cc1
InChIInChI=1S/C12H13BrN2/c1-9-2-4-10(5-3-9)11(13)8-12-14-6-7-15-12/h2-7,11H,8H2,1H3,(H,14,15)
InChIKeyUIBSGEVNHHPZBE-UHFFFAOYSA-N
MW265.15 g/mol
LogP3.40
Rot. Bonds3

About 2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole

2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole (PubChem CID 61096176) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is 2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole
PubChem CID61096176
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole
SMILESCc1ccc(C(Br)Cc2ncc[nH]2)cc1
InChIInChI=1S/C12H13BrN2/c1-9-2-4-10(5-3-9)11(13)8-12-14-6-7-15-12/h2-7,11H,8H2,1H3,(H,14,15)
InChIKeyUIBSGEVNHHPZBE-UHFFFAOYSA-N
XLogP3.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.40
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-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 61096174
2-[2-bromo-2-(3-fluoro-4-methylphenyl)ethyl]-1H-imidazole
CID 61096376
2-[2-bromo-2-(3-bromo-4-methoxyphenyl)ethyl]-1H-imidazole
CID 61095982
2-(2-bromopropyl)-1H-imidazole
CID 61096377
2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole
CID 61096584
1-(3,4-dimethylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61083210
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 61098789
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole
CID 65152733
2-[2-bromo-3-(3,4-dimethylphenyl)propyl]-1H-imidazole
CID 62539146
2-(2-bromo-4-methylpentyl)-1H-imidazole
CID 61096577
2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole
CID 61086063
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole (CID 61096176) is 2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole is Cc1ccc(C(Br)Cc2ncc[nH]2)cc1.
What is the InChIKey of 2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole?
The InChIKey is UIBSGEVNHHPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2/c1-9-2-4-10(5-3-9)11(13)8-12-14-6-7-15-12/h2-7,11H,8H2,1H3,(H,14,15).
What are the key properties of 2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole?
2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole has a molecular weight of 265.15 g/mol, XLogP of 3.40, 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-(4-methylphenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 61096176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).