5-acetyl-1,3-dimethylbenzimidazol-2-one

C11H12N2O2 — CID 17139289

IUPAC5-acetyl-1,3-dimethylbenzimidazol-2-one
SMILESCC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C11H12N2O2/c1-7(14)8-4-5-9-10(6-8)13(3)11(15)12(9)2/h4-6H,1-3H3
InChIKeyWRGKJJMOWIEJHK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.08
Rot. Bonds1

About 5-acetyl-1,3-dimethylbenzimidazol-2-one

5-acetyl-1,3-dimethylbenzimidazol-2-one (PubChem CID 17139289) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-acetyl-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-acetyl-1,3-dimethylbenzimidazol-2-one
PubChem CID17139289
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-acetyl-1,3-dimethylbenzimidazol-2-one
SMILESCC(=O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C11H12N2O2/c1-7(14)8-4-5-9-10(6-8)13(3)11(15)12(9)2/h4-6H,1-3H3
InChIKeyWRGKJJMOWIEJHK-UHFFFAOYSA-N
XLogP1.08
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-1,3-dimethylbenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-acetyl-1,3-dimethylbenzimidazol-2-one (CID 17139289) is 5-acetyl-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-acetyl-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-acetyl-1,3-dimethylbenzimidazol-2-one is CC(=O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-acetyl-1,3-dimethylbenzimidazol-2-one?
The InChIKey is WRGKJJMOWIEJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(14)8-4-5-9-10(6-8)13(3)11(15)12(9)2/h4-6H,1-3H3.
What are the key properties of 5-acetyl-1,3-dimethylbenzimidazol-2-one?
5-acetyl-1,3-dimethylbenzimidazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 17139289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).