2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide

C12H15FN4O3 — CID 106240092

IUPAC2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide
SMILESCOc1cc2c(cc1F)nc(N)n2CCOCC(N)=O
InChIInChI=1S/C12H15FN4O3/c1-19-10-5-9-8(4-7(10)13)16-12(15)17(9)2-3-20-6-11(14)18/h4-5H,2-3,6H2,1H3,(H2,14,18)(H2,15,16)
InChIKeyYAXXHYKKCACCES-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.27
Rot. Bonds6

About 2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide

2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide (PubChem CID 106240092) has the molecular formula C12H15FN4O3 and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide
PubChem CID106240092
Molecular FormulaC12H15FN4O3
Molecular Weight282.28 g/mol
Exact Mass282.11
IUPAC Name2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide
SMILESCOc1cc2c(cc1F)nc(N)n2CCOCC(N)=O
InChIInChI=1S/C12H15FN4O3/c1-19-10-5-9-8(4-7(10)13)16-12(15)17(9)2-3-20-6-11(14)18/h4-5H,2-3,6H2,1H3,(H2,14,18)(H2,15,16)
InChIKeyYAXXHYKKCACCES-UHFFFAOYSA-N
XLogP0.27
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide (CID 106240092) is 2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide is COc1cc2c(cc1F)nc(N)n2CCOCC(N)=O.
What is the InChIKey of 2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide?
The InChIKey is YAXXHYKKCACCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O3/c1-19-10-5-9-8(4-7(10)13)16-12(15)17(9)2-3-20-6-11(14)18/h4-5H,2-3,6H2,1H3,(H2,14,18)(H2,15,16).
What are the key properties of 2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide?
2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide has a molecular weight of 282.28 g/mol, XLogP of 0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide is sourced from PubChem (CID 106240092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).