ethyl 2-(benzimidazol-1-yl)benzoate

C16H14N2O2 — CID 5328430

IUPACethyl 2-(benzimidazol-1-yl)benzoate
SMILESCCOC(=O)c1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)12-7-3-5-9-14(12)18-11-17-13-8-4-6-10-15(13)18/h3-11H,2H2,1H3
InChIKeyODBNXMBOFPJZDG-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.20
Rot. Bonds3

About ethyl 2-(benzimidazol-1-yl)benzoate

ethyl 2-(benzimidazol-1-yl)benzoate (PubChem CID 5328430) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-(benzimidazol-1-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-(benzimidazol-1-yl)benzoate
PubChem CID5328430
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Nameethyl 2-(benzimidazol-1-yl)benzoate
SMILESCCOC(=O)c1ccccc1-n1cnc2ccccc21
InChIInChI=1S/C16H14N2O2/c1-2-20-16(19)12-7-3-5-9-14(12)18-11-17-13-8-4-6-10-15(13)18/h3-11H,2H2,1H3
InChIKeyODBNXMBOFPJZDG-UHFFFAOYSA-N
XLogP3.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzimidazol-1-yl)benzoate?
The IUPAC name of ethyl 2-(benzimidazol-1-yl)benzoate (CID 5328430) is ethyl 2-(benzimidazol-1-yl)benzoate.
What is the SMILES notation for ethyl 2-(benzimidazol-1-yl)benzoate?
The canonical SMILES for ethyl 2-(benzimidazol-1-yl)benzoate is CCOC(=O)c1ccccc1-n1cnc2ccccc21.
What is the InChIKey of ethyl 2-(benzimidazol-1-yl)benzoate?
The InChIKey is ODBNXMBOFPJZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-16(19)12-7-3-5-9-14(12)18-11-17-13-8-4-6-10-15(13)18/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(benzimidazol-1-yl)benzoate?
ethyl 2-(benzimidazol-1-yl)benzoate has a molecular weight of 266.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzimidazol-1-yl)benzoate is sourced from PubChem (CID 5328430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).