(2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine

C20H30N4O — CID 124741311

IUPAC(2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine
SMILESCCOCCN1CCN(Cc2nccn2Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C20H30N4O/c1-3-25-14-13-23-12-11-22(15-18(23)2)17-20-21-9-10-24(20)16-19-7-5-4-6-8-19/h4-10,18H,3,11-17H2,1-2H3/t18-/m1/s1
InChIKeyWDWYVBLAVAYAQH-GOSISDBHSA-N
MW342.49 g/mol
LogP2.47
Rot. Bonds8

About (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine

(2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine (PubChem CID 124741311) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine
PubChem CID124741311
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine
SMILESCCOCCN1CCN(Cc2nccn2Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C20H30N4O/c1-3-25-14-13-23-12-11-22(15-18(23)2)17-20-21-9-10-24(20)16-19-7-5-4-6-8-19/h4-10,18H,3,11-17H2,1-2H3/t18-/m1/s1
InChIKeyWDWYVBLAVAYAQH-GOSISDBHSA-N
XLogP2.47
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-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 (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine?
The IUPAC name of (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine (CID 124741311) is (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine.
What is the SMILES notation for (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine?
The canonical SMILES for (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine is CCOCCN1CCN(Cc2nccn2Cc2ccccc2)C[C@H]1C.
What is the InChIKey of (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine?
The InChIKey is WDWYVBLAVAYAQH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-25-14-13-23-12-11-22(15-18(23)2)17-20-21-9-10-24(20)16-19-7-5-4-6-8-19/h4-10,18H,3,11-17H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine?
(2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine has a molecular weight of 342.49 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1-benzylimidazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-methylpiperazine is sourced from PubChem (CID 124741311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).