4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole

C5H8Br2N2 — CID 58099652

IUPAC4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole
SMILESCC1=NC(Br)C(Br)N1C
InChIInChI=1S/C5H8Br2N2/c1-3-8-4(6)5(7)9(3)2/h4-5H,1-2H3
InChIKeyXRUJLCOMQDHTGI-UHFFFAOYSA-N
MW255.94 g/mol
LogP1.79
Rot. Bonds

About 4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole

4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole (PubChem CID 58099652) has the molecular formula C5H8Br2N2 and a molecular weight of 255.94 g/mol. Its IUPAC name is 4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole
PubChem CID58099652
Molecular FormulaC5H8Br2N2
Molecular Weight255.94 g/mol
Exact Mass253.91
IUPAC Name4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole
SMILESCC1=NC(Br)C(Br)N1C
InChIInChI=1S/C5H8Br2N2/c1-3-8-4(6)5(7)9(3)2/h4-5H,1-2H3
InChIKeyXRUJLCOMQDHTGI-UHFFFAOYSA-N
XLogP1.79
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.94
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole?
The IUPAC name of 4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole (CID 58099652) is 4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole.
What is the SMILES notation for 4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole?
The canonical SMILES for 4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole is CC1=NC(Br)C(Br)N1C.
What is the InChIKey of 4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole?
The InChIKey is XRUJLCOMQDHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2N2/c1-3-8-4(6)5(7)9(3)2/h4-5H,1-2H3.
What are the key properties of 4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole?
4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole has a molecular weight of 255.94 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1,2-dimethyl-4,5-dihydroimidazole is sourced from PubChem (CID 58099652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).