4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole

C10H16Br2N2 — CID 12064774

IUPAC4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole
SMILESCCc1nc(Br)c(Br)n1C(CC)CC
InChIInChI=1S/C10H16Br2N2/c1-4-7(5-2)14-8(6-3)13-9(11)10(14)12/h7H,4-6H2,1-3H3
InChIKeyMWDOEDLBGCLBMM-UHFFFAOYSA-N
MW324.06 g/mol
LogP4.33
Rot. Bonds4

About 4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole

4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole (PubChem CID 12064774) has the molecular formula C10H16Br2N2 and a molecular weight of 324.06 g/mol. Its IUPAC name is 4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole.

Molecular Properties

Compound Name4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole
PubChem CID12064774
Molecular FormulaC10H16Br2N2
Molecular Weight324.06 g/mol
Exact Mass321.97
IUPAC Name4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole
SMILESCCc1nc(Br)c(Br)n1C(CC)CC
InChIInChI=1S/C10H16Br2N2/c1-4-7(5-2)14-8(6-3)13-9(11)10(14)12/h7H,4-6H2,1-3H3
InChIKeyMWDOEDLBGCLBMM-UHFFFAOYSA-N
XLogP4.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.06
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole?
The IUPAC name of 4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole (CID 12064774) is 4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole.
What is the SMILES notation for 4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole?
The canonical SMILES for 4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole is CCc1nc(Br)c(Br)n1C(CC)CC.
What is the InChIKey of 4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole?
The InChIKey is MWDOEDLBGCLBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Br2N2/c1-4-7(5-2)14-8(6-3)13-9(11)10(14)12/h7H,4-6H2,1-3H3.
What are the key properties of 4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole?
4,5-dibromo-2-ethyl-1-pentan-3-ylimidazole has a molecular weight of 324.06 g/mol, XLogP of 4.33, 4 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-pentan-3-ylimidazole is sourced from PubChem (CID 12064774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).