4-bromo-2-ethyl-1-pentan-2-ylimidazole

C10H17BrN2 — CID 18516014

IUPAC4-bromo-2-ethyl-1-pentan-2-ylimidazole
SMILESCCCC(C)n1cc(Br)nc1CC
InChIInChI=1S/C10H17BrN2/c1-4-6-8(3)13-7-9(11)12-10(13)5-2/h7-8H,4-6H2,1-3H3
InChIKeyLZQWYRWHLAIYNZ-UHFFFAOYSA-N
MW245.16 g/mol
LogP3.57
Rot. Bonds4

About 4-bromo-2-ethyl-1-pentan-2-ylimidazole

4-bromo-2-ethyl-1-pentan-2-ylimidazole (PubChem CID 18516014) has the molecular formula C10H17BrN2 and a molecular weight of 245.16 g/mol. Its IUPAC name is 4-bromo-2-ethyl-1-pentan-2-ylimidazole.

Molecular Properties

Compound Name4-bromo-2-ethyl-1-pentan-2-ylimidazole
PubChem CID18516014
Molecular FormulaC10H17BrN2
Molecular Weight245.16 g/mol
Exact Mass244.06
IUPAC Name4-bromo-2-ethyl-1-pentan-2-ylimidazole
SMILESCCCC(C)n1cc(Br)nc1CC
InChIInChI=1S/C10H17BrN2/c1-4-6-8(3)13-7-9(11)12-10(13)5-2/h7-8H,4-6H2,1-3H3
InChIKeyLZQWYRWHLAIYNZ-UHFFFAOYSA-N
XLogP3.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-1-pentan-2-ylimidazole?
The IUPAC name of 4-bromo-2-ethyl-1-pentan-2-ylimidazole (CID 18516014) is 4-bromo-2-ethyl-1-pentan-2-ylimidazole.
What is the SMILES notation for 4-bromo-2-ethyl-1-pentan-2-ylimidazole?
The canonical SMILES for 4-bromo-2-ethyl-1-pentan-2-ylimidazole is CCCC(C)n1cc(Br)nc1CC.
What is the InChIKey of 4-bromo-2-ethyl-1-pentan-2-ylimidazole?
The InChIKey is LZQWYRWHLAIYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2/c1-4-6-8(3)13-7-9(11)12-10(13)5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-bromo-2-ethyl-1-pentan-2-ylimidazole?
4-bromo-2-ethyl-1-pentan-2-ylimidazole has a molecular weight of 245.16 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-1-pentan-2-ylimidazole is sourced from PubChem (CID 18516014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).