4,5-dibromo-2-ethyl-1-pentylimidazole

C10H16Br2N2 — CID 18669047

IUPAC4,5-dibromo-2-ethyl-1-pentylimidazole
SMILESCCCCCn1c(CC)nc(Br)c1Br
InChIInChI=1S/C10H16Br2N2/c1-3-5-6-7-14-8(4-2)13-9(11)10(14)12/h3-7H2,1-2H3
InChIKeyJSNIAZGETBQGAR-UHFFFAOYSA-N
MW324.06 g/mol
LogP4.16
Rot. Bonds5

About 4,5-dibromo-2-ethyl-1-pentylimidazole

4,5-dibromo-2-ethyl-1-pentylimidazole (PubChem CID 18669047) has the molecular formula C10H16Br2N2 and a molecular weight of 324.06 g/mol. Its IUPAC name is 4,5-dibromo-2-ethyl-1-pentylimidazole.

Molecular Properties

Compound Name4,5-dibromo-2-ethyl-1-pentylimidazole
PubChem CID18669047
Molecular FormulaC10H16Br2N2
Molecular Weight324.06 g/mol
Exact Mass321.97
IUPAC Name4,5-dibromo-2-ethyl-1-pentylimidazole
SMILESCCCCCn1c(CC)nc(Br)c1Br
InChIInChI=1S/C10H16Br2N2/c1-3-5-6-7-14-8(4-2)13-9(11)10(14)12/h3-7H2,1-2H3
InChIKeyJSNIAZGETBQGAR-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4,5-dibromo-2-ethyl-1-pentylimidazole?
The IUPAC name of 4,5-dibromo-2-ethyl-1-pentylimidazole (CID 18669047) is 4,5-dibromo-2-ethyl-1-pentylimidazole.
What is the SMILES notation for 4,5-dibromo-2-ethyl-1-pentylimidazole?
The canonical SMILES for 4,5-dibromo-2-ethyl-1-pentylimidazole is CCCCCn1c(CC)nc(Br)c1Br.
What is the InChIKey of 4,5-dibromo-2-ethyl-1-pentylimidazole?
The InChIKey is JSNIAZGETBQGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2/c1-3-5-6-7-14-8(4-2)13-9(11)10(14)12/h3-7H2,1-2H3.
What are the key properties of 4,5-dibromo-2-ethyl-1-pentylimidazole?
4,5-dibromo-2-ethyl-1-pentylimidazole has a molecular weight of 324.06 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-ethyl-1-pentylimidazole is sourced from PubChem (CID 18669047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).