2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol

C16H24N4O — CID 82311687

IUPAC2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
SMILESCCc1ccc2c(c1)nc(CN1CCNCC1)n2CCO
InChIInChI=1S/C16H24N4O/c1-2-13-3-4-15-14(11-13)18-16(20(15)9-10-21)12-19-7-5-17-6-8-19/h3-4,11,17,21H,2,5-10,12H2,1H3
InChIKeyXSJKHCCEPLBYAE-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.00
Rot. Bonds5

About 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol

2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol (PubChem CID 82311687) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
PubChem CID82311687
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
SMILESCCc1ccc2c(c1)nc(CN1CCNCC1)n2CCO
InChIInChI=1S/C16H24N4O/c1-2-13-3-4-15-14(11-13)18-16(20(15)9-10-21)12-19-7-5-17-6-8-19/h3-4,11,17,21H,2,5-10,12H2,1H3
InChIKeyXSJKHCCEPLBYAE-UHFFFAOYSA-N
XLogP1.00
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol (CID 82311687) is 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol is CCc1ccc2c(c1)nc(CN1CCNCC1)n2CCO.
What is the InChIKey of 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol?
The InChIKey is XSJKHCCEPLBYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-13-3-4-15-14(11-13)18-16(20(15)9-10-21)12-19-7-5-17-6-8-19/h3-4,11,17,21H,2,5-10,12H2,1H3.
What are the key properties of 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol?
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol has a molecular weight of 288.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).