1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine

C17H24N4O — CID 56720553

IUPAC1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCOc2ccccc2-c2ncc[nH]2)CC1
InChIInChI=1S/C17H24N4O/c1-20-10-12-21(13-11-20)9-4-14-22-16-6-3-2-5-15(16)17-18-7-8-19-17/h2-3,5-8H,4,9-14H2,1H3,(H,18,19)
InChIKeyAEXKPWXEWFYJFF-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.09
Rot. Bonds6

About 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine

1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine (PubChem CID 56720553) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine
PubChem CID56720553
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine
SMILESCN1CCN(CCCOc2ccccc2-c2ncc[nH]2)CC1
InChIInChI=1S/C17H24N4O/c1-20-10-12-21(13-11-20)9-4-14-22-16-6-3-2-5-15(16)17-18-7-8-19-17/h2-3,5-8H,4,9-14H2,1H3,(H,18,19)
InChIKeyAEXKPWXEWFYJFF-UHFFFAOYSA-N
XLogP2.09
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine 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 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine (CID 56720553) is 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine is CN1CCN(CCCOc2ccccc2-c2ncc[nH]2)CC1.
What is the InChIKey of 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine?
The InChIKey is AEXKPWXEWFYJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-20-10-12-21(13-11-20)9-4-14-22-16-6-3-2-5-15(16)17-18-7-8-19-17/h2-3,5-8H,4,9-14H2,1H3,(H,18,19).
What are the key properties of 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine?
1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine has a molecular weight of 300.41 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1H-imidazol-2-yl)phenoxy]propyl]-4-methylpiperazine is sourced from PubChem (CID 56720553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).