1-(tribromomethyl)imidazole

C4H3Br3N2 — CID 174422009

IUPAC1-(tribromomethyl)imidazole
SMILESBrC(Br)(Br)n1ccnc1
InChIInChI=1S/C4H3Br3N2/c5-4(6,7)9-2-1-8-3-9/h1-3H
InChIKeyRTKZYOLIJXJVSB-UHFFFAOYSA-N
MW318.79 g/mol
LogP2.64
Rot. Bonds

About 1-(tribromomethyl)imidazole

1-(tribromomethyl)imidazole (PubChem CID 174422009) has the molecular formula C4H3Br3N2 and a molecular weight of 318.79 g/mol. Its IUPAC name is 1-(tribromomethyl)imidazole.

Molecular Properties

Compound Name1-(tribromomethyl)imidazole
PubChem CID174422009
Molecular FormulaC4H3Br3N2
Molecular Weight318.79 g/mol
Exact Mass315.78
IUPAC Name1-(tribromomethyl)imidazole
SMILESBrC(Br)(Br)n1ccnc1
InChIInChI=1S/C4H3Br3N2/c5-4(6,7)9-2-1-8-3-9/h1-3H
InChIKeyRTKZYOLIJXJVSB-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.79
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(tribromomethyl)imidazole?
The IUPAC name of 1-(tribromomethyl)imidazole (CID 174422009) is 1-(tribromomethyl)imidazole.
What is the SMILES notation for 1-(tribromomethyl)imidazole?
The canonical SMILES for 1-(tribromomethyl)imidazole is BrC(Br)(Br)n1ccnc1.
What is the InChIKey of 1-(tribromomethyl)imidazole?
The InChIKey is RTKZYOLIJXJVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br3N2/c5-4(6,7)9-2-1-8-3-9/h1-3H.
What are the key properties of 1-(tribromomethyl)imidazole?
1-(tribromomethyl)imidazole has a molecular weight of 318.79 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tribromomethyl)imidazole is sourced from PubChem (CID 174422009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).