1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole

C15H22N4O — CID 3071008

IUPAC1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole
SMILESCCOCCn1c(N2CCNCC2)nc2ccccc21
InChIInChI=1S/C15H22N4O/c1-2-20-12-11-19-14-6-4-3-5-13(14)17-15(19)18-9-7-16-8-10-18/h3-6,16H,2,7-12H2,1H3
InChIKeyBGYDYFZTTYHHAL-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.48
Rot. Bonds5

About 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole

1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole (PubChem CID 3071008) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole
PubChem CID3071008
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole
SMILESCCOCCn1c(N2CCNCC2)nc2ccccc21
InChIInChI=1S/C15H22N4O/c1-2-20-12-11-19-14-6-4-3-5-13(14)17-15(19)18-9-7-16-8-10-18/h3-6,16H,2,7-12H2,1H3
InChIKeyBGYDYFZTTYHHAL-UHFFFAOYSA-N
XLogP1.48
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
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 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole (CID 3071008) is 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole is CCOCCn1c(N2CCNCC2)nc2ccccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole?
The InChIKey is BGYDYFZTTYHHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-2-20-12-11-19-14-6-4-3-5-13(14)17-15(19)18-9-7-16-8-10-18/h3-6,16H,2,7-12H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole?
1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole has a molecular weight of 274.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 3071008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).