2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide

C11H14N4O2 — CID 106240233

IUPAC2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide
SMILESNC(=O)COCCn1cnc2cc(N)ccc21
InChIInChI=1S/C11H14N4O2/c12-8-1-2-10-9(5-8)14-7-15(10)3-4-17-6-11(13)16/h1-2,5,7H,3-4,6,12H2,(H2,13,16)
InChIKeyRIBLNIMBHCRYKW-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.12
Rot. Bonds5

About 2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide

2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide (PubChem CID 106240233) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide
PubChem CID106240233
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide
SMILESNC(=O)COCCn1cnc2cc(N)ccc21
InChIInChI=1S/C11H14N4O2/c12-8-1-2-10-9(5-8)14-7-15(10)3-4-17-6-11(13)16/h1-2,5,7H,3-4,6,12H2,(H2,13,16)
InChIKeyRIBLNIMBHCRYKW-UHFFFAOYSA-N
XLogP0.12
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide (CID 106240233) is 2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide is NC(=O)COCCn1cnc2cc(N)ccc21.
What is the InChIKey of 2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide?
The InChIKey is RIBLNIMBHCRYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c12-8-1-2-10-9(5-8)14-7-15(10)3-4-17-6-11(13)16/h1-2,5,7H,3-4,6,12H2,(H2,13,16).
What are the key properties of 2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide?
2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide has a molecular weight of 234.26 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide is sourced from PubChem (CID 106240233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).