2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol

C30H59N3O4 — CID 6441742

IUPAC2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
SMILESCCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN(CCOCCO)CCOCCO
InChIInChI=1S/C30H59N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-31-18-19-33(30)21-20-32(22-26-36-28-24-34)23-27-37-29-25-35/h9-10,34-35H,2-8,11-29H2,1H3/b10-9+
InChIKeyYMIHXNPTZBTIMF-MDZDMXLPSA-N
MW525.82 g/mol
LogP5.06
Rot. Bonds28

About 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol

2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol (PubChem CID 6441742) has the molecular formula C30H59N3O4 and a molecular weight of 525.82 g/mol. Its IUPAC name is 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
PubChem CID6441742
Molecular FormulaC30H59N3O4
Molecular Weight525.82 g/mol
Exact Mass525.45
IUPAC Name2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol
SMILESCCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN(CCOCCO)CCOCCO
InChIInChI=1S/C30H59N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-31-18-19-33(30)21-20-32(22-26-36-28-24-34)23-27-37-29-25-35/h9-10,34-35H,2-8,11-29H2,1H3/b10-9+
InChIKeyYMIHXNPTZBTIMF-MDZDMXLPSA-N
XLogP5.06
TPSA77.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.82
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]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-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol (CID 6441742) is 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol is CCCCCCCC/C=C/CCCCCCCC1=NCCN1CCN(CCOCCO)CCOCCO.
What is the InChIKey of 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
The InChIKey is YMIHXNPTZBTIMF-MDZDMXLPSA-N. The full InChI is InChI=1S/C30H59N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30-31-18-19-33(30)21-20-32(22-26-36-28-24-34)23-27-37-29-25-35/h9-10,34-35H,2-8,11-29H2,1H3/b10-9+.
What are the key properties of 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol?
2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol has a molecular weight of 525.82 g/mol, XLogP of 5.06, 28 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[(E)-heptadec-8-enyl]-4,5-dihydroimidazol-1-yl]ethyl-[2-(2-hydroxyethoxy)ethyl]amino]ethoxy]ethanol is sourced from PubChem (CID 6441742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).