2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole

C12H15BrN2O — CID 65152733

IUPAC2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole
SMILESCc1oc(C)c(C(Br)Cc2ncc[nH]2)c1C
InChIInChI=1S/C12H15BrN2O/c1-7-8(2)16-9(3)12(7)10(13)6-11-14-4-5-15-11/h4-5,10H,6H2,1-3H3,(H,14,15)
InChIKeyHGSQTBUXFKIULT-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.61
Rot. Bonds3

About 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole

2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole (PubChem CID 65152733) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole
PubChem CID65152733
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole
SMILESCc1oc(C)c(C(Br)Cc2ncc[nH]2)c1C
InChIInChI=1S/C12H15BrN2O/c1-7-8(2)16-9(3)12(7)10(13)6-11-14-4-5-15-11/h4-5,10H,6H2,1-3H3,(H,14,15)
InChIKeyHGSQTBUXFKIULT-UHFFFAOYSA-N
XLogP3.61
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromo-2-(4-methylphenyl)ethyl]-1H-imidazole
CID 61096176
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
CID 66453095
2-[2-bromo-2-(2-methylcyclopropyl)ethyl]-1H-imidazole
CID 61096378
2-[2-bromo-2-(3,4-dimethylphenyl)ethyl]-1H-imidazole
CID 61096174
2-(2-bromo-4-methylpentyl)-1H-imidazole
CID 61096577
2-(1H-imidazol-2-yl)-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65151440
2-[2-bromo-2-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 61098789
2-(2-methylpropyl)-1H-imidazole;dihydrochloride
CID 170357804
2-[2-bromo-3-(3,4-dimethylphenyl)propyl]-1H-imidazole
CID 62539146
2-[2-bromo-2-(3-fluoro-4-methylphenyl)ethyl]-1H-imidazole
CID 61096376
2-[2-bromo-2-(3,5-dichlorophenyl)ethyl]-1H-imidazole
CID 61096584

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole (CID 65152733) is 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole is Cc1oc(C)c(C(Br)Cc2ncc[nH]2)c1C.
What is the InChIKey of 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole?
The InChIKey is HGSQTBUXFKIULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-7-8(2)16-9(3)12(7)10(13)6-11-14-4-5-15-11/h4-5,10H,6H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole?
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole has a molecular weight of 283.17 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]-1H-imidazole is sourced from PubChem (CID 65152733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).