2,5-dibromo-1-(2-methylpropyl)imidazole

C7H10Br2N2 — CID 172992452

IUPAC2,5-dibromo-1-(2-methylpropyl)imidazole
SMILESCC(C)Cn1c(Br)cnc1Br
InChIInChI=1S/C7H10Br2N2/c1-5(2)4-11-6(8)3-10-7(11)9/h3,5H,4H2,1-2H3
InChIKeyLAIQHJOESMLPID-UHFFFAOYSA-N
MW281.98 g/mol
LogP3.06
Rot. Bonds2

About 2,5-dibromo-1-(2-methylpropyl)imidazole

2,5-dibromo-1-(2-methylpropyl)imidazole (PubChem CID 172992452) has the molecular formula C7H10Br2N2 and a molecular weight of 281.98 g/mol. Its IUPAC name is 2,5-dibromo-1-(2-methylpropyl)imidazole.

Molecular Properties

Compound Name2,5-dibromo-1-(2-methylpropyl)imidazole
PubChem CID172992452
Molecular FormulaC7H10Br2N2
Molecular Weight281.98 g/mol
Exact Mass279.92
IUPAC Name2,5-dibromo-1-(2-methylpropyl)imidazole
SMILESCC(C)Cn1c(Br)cnc1Br
InChIInChI=1S/C7H10Br2N2/c1-5(2)4-11-6(8)3-10-7(11)9/h3,5H,4H2,1-2H3
InChIKeyLAIQHJOESMLPID-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.98
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-1-(2-methylpropyl)imidazole?
The IUPAC name of 2,5-dibromo-1-(2-methylpropyl)imidazole (CID 172992452) is 2,5-dibromo-1-(2-methylpropyl)imidazole.
What is the SMILES notation for 2,5-dibromo-1-(2-methylpropyl)imidazole?
The canonical SMILES for 2,5-dibromo-1-(2-methylpropyl)imidazole is CC(C)Cn1c(Br)cnc1Br.
What is the InChIKey of 2,5-dibromo-1-(2-methylpropyl)imidazole?
The InChIKey is LAIQHJOESMLPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Br2N2/c1-5(2)4-11-6(8)3-10-7(11)9/h3,5H,4H2,1-2H3.
What are the key properties of 2,5-dibromo-1-(2-methylpropyl)imidazole?
2,5-dibromo-1-(2-methylpropyl)imidazole has a molecular weight of 281.98 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-1-(2-methylpropyl)imidazole is sourced from PubChem (CID 172992452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).