5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole

C9H14BrN3 — CID 117190585

IUPAC5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole
SMILESCCn1c(Br)cnc1N1CCCC1
InChIInChI=1S/C9H14BrN3/c1-2-13-8(10)7-11-9(13)12-5-3-4-6-12/h7H,2-6H2,1H3
InChIKeyQTGPUBGAHCGTNU-UHFFFAOYSA-N
MW244.14 g/mol
LogP2.27
Rot. Bonds2

About 5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole

5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole (PubChem CID 117190585) has the molecular formula C9H14BrN3 and a molecular weight of 244.14 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole
PubChem CID117190585
Molecular FormulaC9H14BrN3
Molecular Weight244.14 g/mol
Exact Mass243.04
IUPAC Name5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole
SMILESCCn1c(Br)cnc1N1CCCC1
InChIInChI=1S/C9H14BrN3/c1-2-13-8(10)7-11-9(13)12-5-3-4-6-12/h7H,2-6H2,1H3
InChIKeyQTGPUBGAHCGTNU-UHFFFAOYSA-N
XLogP2.27
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole?
The IUPAC name of 5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole (CID 117190585) is 5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole is CCn1c(Br)cnc1N1CCCC1.
What is the InChIKey of 5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole?
The InChIKey is QTGPUBGAHCGTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3/c1-2-13-8(10)7-11-9(13)12-5-3-4-6-12/h7H,2-6H2,1H3.
What are the key properties of 5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole?
5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole has a molecular weight of 244.14 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-2-pyrrolidin-1-ylimidazole is sourced from PubChem (CID 117190585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).