methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate

C10H9N3O4 — CID 115142201

IUPACmethyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
SMILESCOC(=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H9N3O4/c1-17-9(15)8(14)11-5-2-3-6-7(4-5)13-10(16)12-6/h2-4H,1H3,(H,11,14)(H2,12,13,16)
InChIKeyFQGNOSVJLVSTRC-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.03
Rot. Bonds1

About methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate

methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate (PubChem CID 115142201) has the molecular formula C10H9N3O4 and a molecular weight of 235.20 g/mol. Its IUPAC name is methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
PubChem CID115142201
Molecular FormulaC10H9N3O4
Molecular Weight235.20 g/mol
Exact Mass235.06
IUPAC Namemethyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
SMILESCOC(=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H9N3O4/c1-17-9(15)8(14)11-5-2-3-6-7(4-5)13-10(16)12-6/h2-4H,1H3,(H,11,14)(H2,12,13,16)
InChIKeyFQGNOSVJLVSTRC-UHFFFAOYSA-N
XLogP-0.03
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-methoxyacetamide
CID 60701020
2-methoxy-5-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 35624437
phenyl N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamate
CID 10236287
trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 51532166
diethyl 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]propanedioate
CID 121329545
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
6-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-3-carboxamide
CID 27033587
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate?
The IUPAC name of methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate (CID 115142201) is methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate?
The canonical SMILES for methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate is COC(=O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate?
The InChIKey is FQGNOSVJLVSTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4/c1-17-9(15)8(14)11-5-2-3-6-7(4-5)13-10(16)12-6/h2-4H,1H3,(H,11,14)(H2,12,13,16).
What are the key properties of methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate?
methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate has a molecular weight of 235.20 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate is sourced from PubChem (CID 115142201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).