ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate

C16H14N2O2S — CID 10334854

IUPACethyl 2-(benzimidazol-1-ylsulfanyl)benzoate
SMILESCCOC(=O)c1ccccc1Sn1cnc2ccccc21
InChIInChI=1S/C16H14N2O2S/c1-2-20-16(19)12-7-3-6-10-15(12)21-18-11-17-13-8-4-5-9-14(13)18/h3-11H,2H2,1H3
InChIKeyAXJLXCHFMVQTNQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.77
Rot. Bonds4

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

ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate (PubChem CID 10334854) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate.

Molecular Properties

Compound Nameethyl 2-(benzimidazol-1-ylsulfanyl)benzoate
PubChem CID10334854
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Nameethyl 2-(benzimidazol-1-ylsulfanyl)benzoate
SMILESCCOC(=O)c1ccccc1Sn1cnc2ccccc21
InChIInChI=1S/C16H14N2O2S/c1-2-20-16(19)12-7-3-6-10-15(12)21-18-11-17-13-8-4-5-9-14(13)18/h3-11H,2H2,1H3
InChIKeyAXJLXCHFMVQTNQ-UHFFFAOYSA-N
XLogP3.77
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate?
The IUPAC name of ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate (CID 10334854) is ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate.
What is the SMILES notation for ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate?
The canonical SMILES for ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate is CCOC(=O)c1ccccc1Sn1cnc2ccccc21.
What is the InChIKey of ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate?
The InChIKey is AXJLXCHFMVQTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-2-20-16(19)12-7-3-6-10-15(12)21-18-11-17-13-8-4-5-9-14(13)18/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate?
ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate has a molecular weight of 298.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzimidazol-1-ylsulfanyl)benzoate is sourced from PubChem (CID 10334854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).