1-(2,3-dibromopropyl)imidazole

C6H8Br2N2 — CID 71367477

IUPAC1-(2,3-dibromopropyl)imidazole
SMILESBrCC(Br)Cn1ccnc1
InChIInChI=1S/C6H8Br2N2/c7-3-6(8)4-10-2-1-9-5-10/h1-2,5-6H,3-4H2
InChIKeyIMPRUGVUNTVTEC-UHFFFAOYSA-N
MW267.95 g/mol
LogP2.04
Rot. Bonds3

About 1-(2,3-dibromopropyl)imidazole

1-(2,3-dibromopropyl)imidazole (PubChem CID 71367477) has the molecular formula C6H8Br2N2 and a molecular weight of 267.95 g/mol. Its IUPAC name is 1-(2,3-dibromopropyl)imidazole.

Molecular Properties

Compound Name1-(2,3-dibromopropyl)imidazole
PubChem CID71367477
Molecular FormulaC6H8Br2N2
Molecular Weight267.95 g/mol
Exact Mass265.91
IUPAC Name1-(2,3-dibromopropyl)imidazole
SMILESBrCC(Br)Cn1ccnc1
InChIInChI=1S/C6H8Br2N2/c7-3-6(8)4-10-2-1-9-5-10/h1-2,5-6H,3-4H2
InChIKeyIMPRUGVUNTVTEC-UHFFFAOYSA-N
XLogP2.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.95
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(bromomethyl)butyl]imidazole
CID 64995115
1-imidazol-1-yl-N-methylbutan-2-amine
CID 62039095
1-(2,2-dimethoxyethyl)imidazole
CID 12922722
1-(2-methylbutyl)imidazole
CID 59161437
1-imidazol-1-yl-3-methylbutan-2-ol
CID 22324700
1-(2,3-dimethylpentyl)imidazole
CID 91321632
1-(2-ethyl-3-methylbutyl)imidazole
CID 170019524
4-imidazol-1-yl-3-(methylamino)butan-1-ol
CID 64900351
1-bromo-N-(3-imidazol-1-ylpropyl)-3-methylbutan-2-amine
CID 107859114
1-imidazol-1-ylpentan-2-amine
CID 62041882
2-bromo-N-(1-imidazol-1-ylbutan-2-yl)acetamide
CID 82110009
3-amino-2-(imidazol-1-ylmethyl)-3-oxopropanoic acid
CID 90769472

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dibromopropyl)imidazole?
The IUPAC name of 1-(2,3-dibromopropyl)imidazole (CID 71367477) is 1-(2,3-dibromopropyl)imidazole.
What is the SMILES notation for 1-(2,3-dibromopropyl)imidazole?
The canonical SMILES for 1-(2,3-dibromopropyl)imidazole is BrCC(Br)Cn1ccnc1.
What is the InChIKey of 1-(2,3-dibromopropyl)imidazole?
The InChIKey is IMPRUGVUNTVTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2N2/c7-3-6(8)4-10-2-1-9-5-10/h1-2,5-6H,3-4H2.
What are the key properties of 1-(2,3-dibromopropyl)imidazole?
1-(2,3-dibromopropyl)imidazole has a molecular weight of 267.95 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dibromopropyl)imidazole is sourced from PubChem (CID 71367477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).