N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide

C17H17N3O2 — CID 721475

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O2/c21-17(12-22-13-6-2-1-3-7-13)18-11-10-16-19-14-8-4-5-9-15(14)20-16/h1-9H,10-12H2,(H,18,21)(H,19,20)
InChIKeyFEZFATXEYHLKNH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide (PubChem CID 721475) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide
PubChem CID721475
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C17H17N3O2/c21-17(12-22-13-6-2-1-3-7-13)18-11-10-16-19-14-8-4-5-9-15(14)20-16/h1-9H,10-12H2,(H,18,21)(H,19,20)
InChIKeyFEZFATXEYHLKNH-UHFFFAOYSA-N
XLogP2.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide (CID 721475) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is FEZFATXEYHLKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17(12-22-13-6-2-1-3-7-13)18-11-10-16-19-14-8-4-5-9-15(14)20-16/h1-9H,10-12H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 295.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 721475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).