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

C11H13N3O2 — CID 945489

IUPACN-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C11H13N3O2/c1-12-10(15)7-14-9-6-4-3-5-8(9)13(2)11(14)16/h3-6H,7H2,1-2H3,(H,12,15)
InChIKeyLYRQCMWXXBZPPE-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.09
Rot. Bonds2

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

N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 945489) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID945489
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C11H13N3O2/c1-12-10(15)7-14-9-6-4-3-5-8(9)13(2)11(14)16/h3-6H,7H2,1-2H3,(H,12,15)
InChIKeyLYRQCMWXXBZPPE-UHFFFAOYSA-N
XLogP0.09
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 945489) is N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is CNC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is LYRQCMWXXBZPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-12-10(15)7-14-9-6-4-3-5-8(9)13(2)11(14)16/h3-6H,7H2,1-2H3,(H,12,15).
What are the key properties of N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 219.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 945489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).