1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole

C23H34N6O — CID 3045403

IUPAC1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole
SMILESCCOCCn1c(CN2CCN(CCCCn3cccn3)CC2)nc2ccccc21
InChIInChI=1S/C23H34N6O/c1-2-30-19-18-29-22-9-4-3-8-21(22)25-23(29)20-27-16-14-26(15-17-27)11-5-6-12-28-13-7-10-24-28/h3-4,7-10,13H,2,5-6,11-12,14-20H2,1H3
InChIKeyCXFNDBLYDZRFQL-UHFFFAOYSA-N
MW410.57 g/mol
LogP2.87
Rot. Bonds11

About 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole

1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole (PubChem CID 3045403) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole
PubChem CID3045403
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC Name1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole
SMILESCCOCCn1c(CN2CCN(CCCCn3cccn3)CC2)nc2ccccc21
InChIInChI=1S/C23H34N6O/c1-2-30-19-18-29-22-9-4-3-8-21(22)25-23(29)20-27-16-14-26(15-17-27)11-5-6-12-28-13-7-10-24-28/h3-4,7-10,13H,2,5-6,11-12,14-20H2,1H3
InChIKeyCXFNDBLYDZRFQL-UHFFFAOYSA-N
XLogP2.87
TPSA51.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole (CID 3045403) is 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole is CCOCCn1c(CN2CCN(CCCCn3cccn3)CC2)nc2ccccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole?
The InChIKey is CXFNDBLYDZRFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-2-30-19-18-29-22-9-4-3-8-21(22)25-23(29)20-27-16-14-26(15-17-27)11-5-6-12-28-13-7-10-24-28/h3-4,7-10,13H,2,5-6,11-12,14-20H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole?
1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole has a molecular weight of 410.57 g/mol, XLogP of 2.87, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-[[4-(4-pyrazol-1-ylbutyl)piperazin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 3045403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).