2-(2-bromopropyl)-1H-imidazole

C6H9BrN2 — CID 61096377

IUPAC2-(2-bromopropyl)-1H-imidazole
SMILESCC(Br)Cc1ncc[nH]1
InChIInChI=1S/C6H9BrN2/c1-5(7)4-6-8-2-3-9-6/h2-3,5H,4H2,1H3,(H,8,9)
InChIKeySYYSWMWROIMPHD-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.74
Rot. Bonds2

About 2-(2-bromopropyl)-1H-imidazole

2-(2-bromopropyl)-1H-imidazole (PubChem CID 61096377) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is 2-(2-bromopropyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-bromopropyl)-1H-imidazole
PubChem CID61096377
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name2-(2-bromopropyl)-1H-imidazole
SMILESCC(Br)Cc1ncc[nH]1
InChIInChI=1S/C6H9BrN2/c1-5(7)4-6-8-2-3-9-6/h2-3,5H,4H2,1H3,(H,8,9)
InChIKeySYYSWMWROIMPHD-UHFFFAOYSA-N
XLogP1.74
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.74
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-4-methylpentyl)-1H-imidazole
CID 61096577
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
2-(1-bromoethoxymethyl)-1H-imidazole
CID 141093842
2-[2-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole
CID 61096176
2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole
CID 61096378
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole
CID 65152733
2-[2-bromo-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 61096174
N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine
CID 43493340
2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole
CID 61096584
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 61098789
2-(2-bromo-2-cycloheptylethyl)-1H-imidazole
CID 62588339
1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid
CID 68743487

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropyl)-1H-imidazole?
The IUPAC name of 2-(2-bromopropyl)-1H-imidazole (CID 61096377) is 2-(2-bromopropyl)-1H-imidazole.
What is the SMILES notation for 2-(2-bromopropyl)-1H-imidazole?
The canonical SMILES for 2-(2-bromopropyl)-1H-imidazole is CC(Br)Cc1ncc[nH]1.
What is the InChIKey of 2-(2-bromopropyl)-1H-imidazole?
The InChIKey is SYYSWMWROIMPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c1-5(7)4-6-8-2-3-9-6/h2-3,5H,4H2,1H3,(H,8,9).
What are the key properties of 2-(2-bromopropyl)-1H-imidazole?
2-(2-bromopropyl)-1H-imidazole has a molecular weight of 189.06 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropyl)-1H-imidazole is sourced from PubChem (CID 61096377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).