ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate

C13H16N2O4 — CID 117414834

IUPACethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc2c1n(C)c(=O)n2C
InChIInChI=1S/C13H16N2O4/c1-4-19-12(17)11(16)8-6-5-7-9-10(8)15(3)13(18)14(9)2/h5-7,11,16H,4H2,1-3H3
InChIKeyINAFOWXHVMTINZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.47
Rot. Bonds3

About ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate

ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate (PubChem CID 117414834) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate
PubChem CID117414834
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Nameethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc2c1n(C)c(=O)n2C
InChIInChI=1S/C13H16N2O4/c1-4-19-12(17)11(16)8-6-5-7-9-10(8)15(3)13(18)14(9)2/h5-7,11,16H,4H2,1-3H3
InChIKeyINAFOWXHVMTINZ-UHFFFAOYSA-N
XLogP0.47
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate (CID 117414834) is ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1cccc2c1n(C)c(=O)n2C.
What is the InChIKey of ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate?
The InChIKey is INAFOWXHVMTINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-19-12(17)11(16)8-6-5-7-9-10(8)15(3)13(18)14(9)2/h5-7,11,16H,4H2,1-3H3.
What are the key properties of ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate?
ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate has a molecular weight of 264.28 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate is sourced from PubChem (CID 117414834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).