ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate

C11H10N2O4 — CID 117339913

IUPACethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate
SMILESCCOC(=O)C(=O)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C11H10N2O4/c1-2-17-10(15)9(14)6-4-3-5-7-8(6)13-11(16)12-7/h3-5H,2H2,1H3,(H2,12,13,16)
InChIKeyVXVWDKIVSURRGW-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.60
Rot. Bonds3

About ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate

ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate (PubChem CID 117339913) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate
PubChem CID117339913
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Nameethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate
SMILESCCOC(=O)C(=O)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C11H10N2O4/c1-2-17-10(15)9(14)6-4-3-5-7-8(6)13-11(16)12-7/h3-5H,2H2,1H3,(H2,12,13,16)
InChIKeyVXVWDKIVSURRGW-UHFFFAOYSA-N
XLogP0.60
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

propyl 2-oxo-1,3-dihydrobenzimidazole-4-carboxylate
CID 22745349
ethyl 2-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-oxoacetate
CID 62374908
ethyl 2-(2-methoxy-3-methylphenyl)-2-oxoacetate
CID 117317826
ethyl 2-oxo-2-(2-oxo-1,3-benzoxathiol-7-yl)acetate
CID 117383260
ethyl 2-(3-bromo-2H-indazol-7-yl)-2-oxoacetate
CID 117478350
ethyl 2-[2-(aminomethyl)phenyl]-2-oxoacetate
CID 174607647
N-[(2-methoxyphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701179
ethyl 2-[2-(difluoromethyl)phenyl]-2-oxoacetate
CID 91658528
ethyl 2-[2-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetate
CID 91658503
ethyl 2-(2,6-dimethylphenyl)-2-oxoacetate
CID 24722257
N-[3-(dimethylamino)propyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701163
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate
CID 70319285

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate?
The IUPAC name of ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate (CID 117339913) is ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate is CCOC(=O)C(=O)c1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate?
The InChIKey is VXVWDKIVSURRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-17-10(15)9(14)6-4-3-5-7-8(6)13-11(16)12-7/h3-5H,2H2,1H3,(H2,12,13,16).
What are the key properties of ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate?
ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate has a molecular weight of 234.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-4-yl)acetate is sourced from PubChem (CID 117339913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).