2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol

C13H23N3O2 — CID 22886473

IUPAC2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol
SMILESOCCN1CCC=C1CCC1=NCCN1CCO
InChIInChI=1S/C13H23N3O2/c17-10-8-15-6-1-2-12(15)3-4-13-14-5-7-16(13)9-11-18/h2,17-18H,1,3-11H2
InChIKeyHNVPPEYMSHZOFT-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.05
Rot. Bonds7

About 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol

2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol (PubChem CID 22886473) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol
PubChem CID22886473
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol
SMILESOCCN1CCC=C1CCC1=NCCN1CCO
InChIInChI=1S/C13H23N3O2/c17-10-8-15-6-1-2-12(15)3-4-13-14-5-7-16(13)9-11-18/h2,17-18H,1,3-11H2
InChIKeyHNVPPEYMSHZOFT-UHFFFAOYSA-N
XLogP0.05
TPSA59.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol with MolForge

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Related Compounds

[5-[[1-(Hydroxymethyl)-4,5-dihydroimidazol-2-yl]methyl]-2,3-dihydropyrrol-1-yl]methanol
CID 20695934
2-[2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327457
2-[2-[(E)-oct-4-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327458
2-[2-[(E)-non-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327478
2-[2-[(E)-non-4-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101327479
2-[1-ethyl-2-[(E)-hept-3-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 101329692
2-[1-ethyl-2-[(E)-hept-4-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 101329693
2-[1-ethyl-2-[(E)-oct-3-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 101329729
2-[1-ethyl-2-[(E)-oct-4-enyl]-4,5-dihydroimidazol-1-ium-1-yl]ethanol
CID 101329730
2-[2-[(E)-hept-3-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101528846
2-[2-[(E)-hept-4-enyl]-4,5-dihydroimidazol-1-yl]ethanol
CID 101528847

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol (CID 22886473) is 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol is OCCN1CCC=C1CCC1=NCCN1CCO.
What is the InChIKey of 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol?
The InChIKey is HNVPPEYMSHZOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-10-8-15-6-1-2-12(15)3-4-13-14-5-7-16(13)9-11-18/h2,17-18H,1,3-11H2.
What are the key properties of 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol?
2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol has a molecular weight of 253.35 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[1-(2-hydroxyethyl)-4,5-dihydroimidazol-2-yl]ethyl]-2,3-dihydropyrrol-1-yl]ethanol is sourced from PubChem (CID 22886473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).