2,4-dibromo-5-pentyl-1H-imidazole

C8H12Br2N2 — CID 68513062

IUPAC2,4-dibromo-5-pentyl-1H-imidazole
SMILESCCCCCc1[nH]c(Br)nc1Br
InChIInChI=1S/C8H12Br2N2/c1-2-3-4-5-6-7(9)12-8(10)11-6/h2-5H2,1H3,(H,11,12)
InChIKeyURVRTMBZXOAVQB-UHFFFAOYSA-N
MW296.01 g/mol
LogP3.67
Rot. Bonds4

About 2,4-dibromo-5-pentyl-1H-imidazole

2,4-dibromo-5-pentyl-1H-imidazole (PubChem CID 68513062) has the molecular formula C8H12Br2N2 and a molecular weight of 296.01 g/mol. Its IUPAC name is 2,4-dibromo-5-pentyl-1H-imidazole.

Molecular Properties

Compound Name2,4-dibromo-5-pentyl-1H-imidazole
PubChem CID68513062
Molecular FormulaC8H12Br2N2
Molecular Weight296.01 g/mol
Exact Mass293.94
IUPAC Name2,4-dibromo-5-pentyl-1H-imidazole
SMILESCCCCCc1[nH]c(Br)nc1Br
InChIInChI=1S/C8H12Br2N2/c1-2-3-4-5-6-7(9)12-8(10)11-6/h2-5H2,1H3,(H,11,12)
InChIKeyURVRTMBZXOAVQB-UHFFFAOYSA-N
XLogP3.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.01
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-5-pentyl-1H-imidazole?
The IUPAC name of 2,4-dibromo-5-pentyl-1H-imidazole (CID 68513062) is 2,4-dibromo-5-pentyl-1H-imidazole.
What is the SMILES notation for 2,4-dibromo-5-pentyl-1H-imidazole?
The canonical SMILES for 2,4-dibromo-5-pentyl-1H-imidazole is CCCCCc1[nH]c(Br)nc1Br.
What is the InChIKey of 2,4-dibromo-5-pentyl-1H-imidazole?
The InChIKey is URVRTMBZXOAVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Br2N2/c1-2-3-4-5-6-7(9)12-8(10)11-6/h2-5H2,1H3,(H,11,12).
What are the key properties of 2,4-dibromo-5-pentyl-1H-imidazole?
2,4-dibromo-5-pentyl-1H-imidazole has a molecular weight of 296.01 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-5-pentyl-1H-imidazole is sourced from PubChem (CID 68513062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).