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

C12H14N2O4 — CID 117378565

IUPACmethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cccc2c1n(C)c(=O)n2C
InChIInChI=1S/C12H14N2O4/c1-13-8-6-4-5-7(10(15)11(16)18-3)9(8)14(2)12(13)17/h4-6,10,15H,1-3H3
InChIKeyDBVNIEHSASGBLH-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.08
Rot. Bonds2

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

methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate (PubChem CID 117378565) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate
PubChem CID117378565
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cccc2c1n(C)c(=O)n2C
InChIInChI=1S/C12H14N2O4/c1-13-8-6-4-5-7(10(15)11(16)18-3)9(8)14(2)12(13)17/h4-6,10,15H,1-3H3
InChIKeyDBVNIEHSASGBLH-UHFFFAOYSA-N
XLogP0.08
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate (CID 117378565) is methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate is COC(=O)C(O)c1cccc2c1n(C)c(=O)n2C.
What is the InChIKey of methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate?
The InChIKey is DBVNIEHSASGBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13-8-6-4-5-7(10(15)11(16)18-3)9(8)14(2)12(13)17/h4-6,10,15H,1-3H3.
What are the key properties of methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate?
methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate has a molecular weight of 250.25 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-dimethyl-2-oxobenzimidazol-4-yl)-2-hydroxyacetate is sourced from PubChem (CID 117378565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).