2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole

C22H28N4O — CID 15585276

IUPAC2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(N2CCN(Cc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-2-27-17-16-26-21-11-7-6-10-20(21)23-22(26)25-14-12-24(13-15-25)18-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
InChIKeyGEDWDORUFBMJEJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.39
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole

2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole (PubChem CID 15585276) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole
PubChem CID15585276
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(N2CCN(Cc3ccccc3)CC2)nc2ccccc21
InChIInChI=1S/C22H28N4O/c1-2-27-17-16-26-21-11-7-6-10-20(21)23-22(26)25-14-12-24(13-15-25)18-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3
InChIKeyGEDWDORUFBMJEJ-UHFFFAOYSA-N
XLogP3.39
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole (CID 15585276) is 2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole is CCOCCn1c(N2CCN(Cc3ccccc3)CC2)nc2ccccc21.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole?
The InChIKey is GEDWDORUFBMJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-2-27-17-16-26-21-11-7-6-10-20(21)23-22(26)25-14-12-24(13-15-25)18-19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole?
2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole has a molecular weight of 364.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-1-(2-ethoxyethyl)benzimidazole is sourced from PubChem (CID 15585276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).