1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

C11H19N3O — CID 104941455

IUPAC1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCCOCCn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C11H19N3O/c1-2-15-7-6-14-9-12-8-11(14)10-4-3-5-13-10/h8-10,13H,2-7H2,1H3/t10-/m0/s1
InChIKeyXYFOGFKRDQZYRZ-JTQLQIEISA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds5

About 1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole

1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (PubChem CID 104941455) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
PubChem CID104941455
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
SMILESCCOCCn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C11H19N3O/c1-2-15-7-6-14-9-12-8-11(14)10-4-3-5-13-10/h8-10,13H,2-7H2,1H3/t10-/m0/s1
InChIKeyXYFOGFKRDQZYRZ-JTQLQIEISA-N
XLogP1.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole (CID 104941455) is 1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is CCOCCn1cncc1[C@@H]1CCCN1.
What is the InChIKey of 1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
The InChIKey is XYFOGFKRDQZYRZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-15-7-6-14-9-12-8-11(14)10-4-3-5-13-10/h8-10,13H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of 1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole?
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole has a molecular weight of 209.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole is sourced from PubChem (CID 104941455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).