N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C13H17N3O3 — CID 2020993

IUPACN-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C13H17N3O3/c1-15-10-5-3-4-6-11(10)16(13(15)18)9-12(17)14-7-8-19-2/h3-6H,7-9H2,1-2H3,(H,14,17)
InChIKeyISSBBASGYBMEST-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.10
Rot. Bonds5

About N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 2020993) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID2020993
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCOCCNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C13H17N3O3/c1-15-10-5-3-4-6-11(10)16(13(15)18)9-12(17)14-7-8-19-2/h3-6H,7-9H2,1-2H3,(H,14,17)
InChIKeyISSBBASGYBMEST-UHFFFAOYSA-N
XLogP0.10
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 2020993) is N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is COCCNC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is ISSBBASGYBMEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15-10-5-3-4-6-11(10)16(13(15)18)9-12(17)14-7-8-19-2/h3-6H,7-9H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 2020993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).