ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate

C17H16N2O3 — CID 3782028

IUPACethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
SMILESCCOC(=O)COn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-2-21-16(20)12-22-19-15-11-7-6-10-14(15)18-17(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyHXALMVWKWZQHBH-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.69
Rot. Bonds5

About ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate

ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate (PubChem CID 3782028) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
PubChem CID3782028
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Nameethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
SMILESCCOC(=O)COn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-2-21-16(20)12-22-19-15-11-7-6-10-14(15)18-17(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
InChIKeyHXALMVWKWZQHBH-UHFFFAOYSA-N
XLogP2.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate 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 ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate?
The IUPAC name of ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate (CID 3782028) is ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate?
The canonical SMILES for ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate is CCOC(=O)COn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate?
The InChIKey is HXALMVWKWZQHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-21-16(20)12-22-19-15-11-7-6-10-14(15)18-17(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate?
ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate has a molecular weight of 296.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate is sourced from PubChem (CID 3782028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).