2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol

C19H33N3O5+2 — CID 58140525

IUPAC2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol
SMILESOCCC1C=C[N+](CCOCCOCCOCCn2cc[n+](CCO)c2)=C1
InChIInChI=1S/C19H33N3O5/c23-9-2-19-1-3-20(17-19)7-11-25-13-15-27-16-14-26-12-8-22-5-4-21(18-22)6-10-24/h1,3-5,17-19,23-24H,2,6-16H2/q+2
InChIKeyUBSFLQJAZHKPMW-UHFFFAOYSA-N
MW383.49 g/mol
LogP-0.57
Rot. Bonds16

About 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol

2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol (PubChem CID 58140525) has the molecular formula C19H33N3O5+2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol
PubChem CID58140525
Molecular FormulaC19H33N3O5+2
Molecular Weight383.49 g/mol
Exact Mass383.24
IUPAC Name2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol
SMILESOCCC1C=C[N+](CCOCCOCCOCCn2cc[n+](CCO)c2)=C1
InChIInChI=1S/C19H33N3O5/c23-9-2-19-1-3-20(17-19)7-11-25-13-15-27-16-14-26-12-8-22-5-4-21(18-22)6-10-24/h1,3-5,17-19,23-24H,2,6-16H2/q+2
InChIKeyUBSFLQJAZHKPMW-UHFFFAOYSA-N
XLogP-0.57
TPSA79.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol?
The IUPAC name of 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol (CID 58140525) is 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol is OCCC1C=C[N+](CCOCCOCCOCCn2cc[n+](CCO)c2)=C1.
What is the InChIKey of 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol?
The InChIKey is UBSFLQJAZHKPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O5/c23-9-2-19-1-3-20(17-19)7-11-25-13-15-27-16-14-26-12-8-22-5-4-21(18-22)6-10-24/h1,3-5,17-19,23-24H,2,6-16H2/q+2.
What are the key properties of 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol?
2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol has a molecular weight of 383.49 g/mol, XLogP of -0.57, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-[2-[2-[3-(2-hydroxyethyl)imidazol-3-ium-1-yl]ethoxy]ethoxy]ethoxy]ethyl]-3H-pyrrol-1-ium-3-yl]ethanol is sourced from PubChem (CID 58140525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).