2-(2-bromo-4-methylpentyl)-1H-imidazole

C9H15BrN2 — CID 61096577

IUPAC2-(2-bromo-4-methylpentyl)-1H-imidazole
SMILESCC(C)CC(Br)Cc1ncc[nH]1
InChIInChI=1S/C9H15BrN2/c1-7(2)5-8(10)6-9-11-3-4-12-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
InChIKeyAWGRBKPYZKRNSH-UHFFFAOYSA-N
MW231.14 g/mol
LogP2.76
Rot. Bonds4

About 2-(2-bromo-4-methylpentyl)-1H-imidazole

2-(2-bromo-4-methylpentyl)-1H-imidazole (PubChem CID 61096577) has the molecular formula C9H15BrN2 and a molecular weight of 231.14 g/mol. Its IUPAC name is 2-(2-bromo-4-methylpentyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-bromo-4-methylpentyl)-1H-imidazole
PubChem CID61096577
Molecular FormulaC9H15BrN2
Molecular Weight231.14 g/mol
Exact Mass230.04
IUPAC Name2-(2-bromo-4-methylpentyl)-1H-imidazole
SMILESCC(C)CC(Br)Cc1ncc[nH]1
InChIInChI=1S/C9H15BrN2/c1-7(2)5-8(10)6-9-11-3-4-12-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12)
InChIKeyAWGRBKPYZKRNSH-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 52.76
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-bromopropyl)-1H-imidazole
CID 61096377
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
2-[2-bromo-3-(3,4-dimethylphenyl)propyl]-1H-imidazole
CID 62539146
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
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
2-[2-bromo-3-(3-methoxyphenyl)propyl]-1H-imidazole
CID 61097381
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylpentyl)-1H-imidazole?
The IUPAC name of 2-(2-bromo-4-methylpentyl)-1H-imidazole (CID 61096577) is 2-(2-bromo-4-methylpentyl)-1H-imidazole.
What is the SMILES notation for 2-(2-bromo-4-methylpentyl)-1H-imidazole?
The canonical SMILES for 2-(2-bromo-4-methylpentyl)-1H-imidazole is CC(C)CC(Br)Cc1ncc[nH]1.
What is the InChIKey of 2-(2-bromo-4-methylpentyl)-1H-imidazole?
The InChIKey is AWGRBKPYZKRNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN2/c1-7(2)5-8(10)6-9-11-3-4-12-9/h3-4,7-8H,5-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-bromo-4-methylpentyl)-1H-imidazole?
2-(2-bromo-4-methylpentyl)-1H-imidazole has a molecular weight of 231.14 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylpentyl)-1H-imidazole is sourced from PubChem (CID 61096577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).