N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

C11H13N3O2 — CID 973024

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C11H13N3O2/c1-7(15)12-8-4-5-9-10(6-8)14(3)11(16)13(9)2/h4-6H,1-3H3,(H,12,15)
InChIKeyWKEBJSAZIPEZLS-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.84
Rot. Bonds1

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 973024) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID973024
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C11H13N3O2/c1-7(15)12-8-4-5-9-10(6-8)14(3)11(16)13(9)2/h4-6H,1-3H3,(H,12,15)
InChIKeyWKEBJSAZIPEZLS-UHFFFAOYSA-N
XLogP0.84
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 973024) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is WKEBJSAZIPEZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(15)12-8-4-5-9-10(6-8)14(3)11(16)13(9)2/h4-6H,1-3H3,(H,12,15).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 219.24 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 973024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).