2-(2-bromo-2-cycloheptylethyl)-1H-imidazole

C12H19BrN2 — CID 62588339

IUPAC2-(2-bromo-2-cycloheptylethyl)-1H-imidazole
SMILESBrC(Cc1ncc[nH]1)C1CCCCCC1
InChIInChI=1S/C12H19BrN2/c13-11(9-12-14-7-8-15-12)10-5-3-1-2-4-6-10/h7-8,10-11H,1-6,9H2,(H,14,15)
InChIKeyBTKMRFQYOGEMRC-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.69
Rot. Bonds3

About 2-(2-bromo-2-cycloheptylethyl)-1H-imidazole

2-(2-bromo-2-cycloheptylethyl)-1H-imidazole (PubChem CID 62588339) has the molecular formula C12H19BrN2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2-(2-bromo-2-cycloheptylethyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-bromo-2-cycloheptylethyl)-1H-imidazole
PubChem CID62588339
Molecular FormulaC12H19BrN2
Molecular Weight271.20 g/mol
Exact Mass270.07
IUPAC Name2-(2-bromo-2-cycloheptylethyl)-1H-imidazole
SMILESBrC(Cc1ncc[nH]1)C1CCCCCC1
InChIInChI=1S/C12H19BrN2/c13-11(9-12-14-7-8-15-12)10-5-3-1-2-4-6-10/h7-8,10-11H,1-6,9H2,(H,14,15)
InChIKeyBTKMRFQYOGEMRC-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-cycloheptylethyl)-1H-imidazole?
The IUPAC name of 2-(2-bromo-2-cycloheptylethyl)-1H-imidazole (CID 62588339) is 2-(2-bromo-2-cycloheptylethyl)-1H-imidazole.
What is the SMILES notation for 2-(2-bromo-2-cycloheptylethyl)-1H-imidazole?
The canonical SMILES for 2-(2-bromo-2-cycloheptylethyl)-1H-imidazole is BrC(Cc1ncc[nH]1)C1CCCCCC1.
What is the InChIKey of 2-(2-bromo-2-cycloheptylethyl)-1H-imidazole?
The InChIKey is BTKMRFQYOGEMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2/c13-11(9-12-14-7-8-15-12)10-5-3-1-2-4-6-10/h7-8,10-11H,1-6,9H2,(H,14,15).
What are the key properties of 2-(2-bromo-2-cycloheptylethyl)-1H-imidazole?
2-(2-bromo-2-cycloheptylethyl)-1H-imidazole has a molecular weight of 271.20 g/mol, XLogP of 3.69, 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-cycloheptylethyl)-1H-imidazole is sourced from PubChem (CID 62588339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).