[2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate

C19H19N3O3 — CID 2422184

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C19H19N3O3/c23-18(20-11-10-15-6-2-1-3-7-15)13-25-19(24)12-22-14-21-16-8-4-5-9-17(16)22/h1-9,14H,10-13H2,(H,20,23)
InChIKeyVOQUSZKGVOTCQG-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.94
Rot. Bonds7

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate (PubChem CID 2422184) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate
PubChem CID2422184
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate
SMILESO=C(COC(=O)Cn1cnc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C19H19N3O3/c23-18(20-11-10-15-6-2-1-3-7-15)13-25-19(24)12-22-14-21-16-8-4-5-9-17(16)22/h1-9,14H,10-13H2,(H,20,23)
InChIKeyVOQUSZKGVOTCQG-UHFFFAOYSA-N
XLogP1.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate (CID 2422184) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate is O=C(COC(=O)Cn1cnc2ccccc21)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate?
The InChIKey is VOQUSZKGVOTCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(20-11-10-15-6-2-1-3-7-15)13-25-19(24)12-22-14-21-16-8-4-5-9-17(16)22/h1-9,14H,10-13H2,(H,20,23).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate has a molecular weight of 337.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 2422184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).