2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol

C18H26N4O2 — CID 29022137

IUPAC2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C18H26N4O2/c23-11-13-24-12-10-21-6-8-22(9-7-21)15-17-14-19-18(20-17)16-4-2-1-3-5-16/h1-5,14,23H,6-13,15H2,(H,19,20)
InChIKeyCAABTIKZTFLBLM-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.20
Rot. Bonds8

About 2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol

2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol (PubChem CID 29022137) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol
PubChem CID29022137
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol
SMILESOCCOCCN1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1
InChIInChI=1S/C18H26N4O2/c23-11-13-24-12-10-21-6-8-22(9-7-21)15-17-14-19-18(20-17)16-4-2-1-3-5-16/h1-5,14,23H,6-13,15H2,(H,19,20)
InChIKeyCAABTIKZTFLBLM-UHFFFAOYSA-N
XLogP1.20
TPSA64.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]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-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol (CID 29022137) is 2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol is OCCOCCN1CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1.
What is the InChIKey of 2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol?
The InChIKey is CAABTIKZTFLBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-11-13-24-12-10-21-6-8-22(9-7-21)15-17-14-19-18(20-17)16-4-2-1-3-5-16/h1-5,14,23H,6-13,15H2,(H,19,20).
What are the key properties of 2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol has a molecular weight of 330.43 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 29022137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).