2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide

C11H13FN4O2 — CID 106240033

IUPAC2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide
SMILESNC(=O)COCCn1c(N)nc2cc(F)ccc21
InChIInChI=1S/C11H13FN4O2/c12-7-1-2-9-8(5-7)15-11(14)16(9)3-4-18-6-10(13)17/h1-2,5H,3-4,6H2,(H2,13,17)(H2,14,15)
InChIKeyKDHDFPDTVDUPDF-UHFFFAOYSA-N
MW252.25 g/mol
LogP0.26
Rot. Bonds5

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

2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide (PubChem CID 106240033) has the molecular formula C11H13FN4O2 and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide
PubChem CID106240033
Molecular FormulaC11H13FN4O2
Molecular Weight252.25 g/mol
Exact Mass252.10
IUPAC Name2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide
SMILESNC(=O)COCCn1c(N)nc2cc(F)ccc21
InChIInChI=1S/C11H13FN4O2/c12-7-1-2-9-8(5-7)15-11(14)16(9)3-4-18-6-10(13)17/h1-2,5H,3-4,6H2,(H2,13,17)(H2,14,15)
InChIKeyKDHDFPDTVDUPDF-UHFFFAOYSA-N
XLogP0.26
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240092
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243
2-[2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]ethoxy]acetamide
CID 106240670
2-[2-(6-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)ethoxy]acetamide
CID 106236115
2-[2-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]ethoxy]acetamide
CID 106240650
2-[2-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]ethoxy]acetamide
CID 106240491
2-[2-(2-amino-4-propan-2-yloxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240102
5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-amine
CID 43661623
5-fluoro-1-(3-methylsulfanylbutyl)benzimidazol-2-amine
CID 113494111
1-(2-cyclopentylethyl)-5-fluorobenzimidazol-2-amine
CID 54932894
2-[2-[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]ethoxy]acetamide
CID 106240496
5-fluoro-1-(2-imidazol-1-ylethyl)benzimidazol-2-amine
CID 54951192

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide (CID 106240033) is 2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide is NC(=O)COCCn1c(N)nc2cc(F)ccc21.
What is the InChIKey of 2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide?
The InChIKey is KDHDFPDTVDUPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4O2/c12-7-1-2-9-8(5-7)15-11(14)16(9)3-4-18-6-10(13)17/h1-2,5H,3-4,6H2,(H2,13,17)(H2,14,15).
What are the key properties of 2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide?
2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide has a molecular weight of 252.25 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-amino-5-fluorobenzimidazol-1-yl)ethoxy]acetamide is sourced from PubChem (CID 106240033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).