2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid

C11H11N3O3 — CID 115141265

IUPAC2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
SMILESCc1nc2ccc(N(C)C(=O)C(=O)O)cc2[nH]1
InChIInChI=1S/C11H11N3O3/c1-6-12-8-4-3-7(5-9(8)13-6)14(2)10(15)11(16)17/h3-5H,1-2H3,(H,12,13)(H,16,17)
InChIKeyLYNILGHGFRVKMK-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.92
Rot. Bonds1

About 2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid

2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid (PubChem CID 115141265) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
PubChem CID115141265
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid
SMILESCc1nc2ccc(N(C)C(=O)C(=O)O)cc2[nH]1
InChIInChI=1S/C11H11N3O3/c1-6-12-8-4-3-7(5-9(8)13-6)14(2)10(15)11(16)17/h3-5H,1-2H3,(H,12,13)(H,16,17)
InChIKeyLYNILGHGFRVKMK-UHFFFAOYSA-N
XLogP0.92
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115190207
2-amino-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 82493565
2-chloro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 115161938
3,4-difluoro-N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)benzamide
CID 110869413
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)pyrrolidine-3-carboxamide
CID 115159459
2-[3H-benzimidazol-5-yl(methyl)amino]-2-oxoacetic acid
CID 115141264
3-methyl-3-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]butanoic acid
CID 117042372
N-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 110866873
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide
CID 166339220
methyl 2-(dimethylamino)-2-(2-methyl-3H-benzimidazol-5-yl)acetate
CID 116857134
N,N'-dimethyl-N'-(2-methyl-3H-benzimidazol-5-yl)ethane-1,2-diamine
CID 82493713

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid (CID 115141265) is 2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid is Cc1nc2ccc(N(C)C(=O)C(=O)O)cc2[nH]1.
What is the InChIKey of 2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid?
The InChIKey is LYNILGHGFRVKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-12-8-4-3-7(5-9(8)13-6)14(2)10(15)11(16)17/h3-5H,1-2H3,(H,12,13)(H,16,17).
What are the key properties of 2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid?
2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid has a molecular weight of 233.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-oxoacetic acid is sourced from PubChem (CID 115141265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).