4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one

C10H12N2O3 — CID 13295893

IUPAC4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one
SMILESCOc1ccc(OC)c2c1[nH]c(=O)n2C
InChIInChI=1S/C10H12N2O3/c1-12-9-7(15-3)5-4-6(14-2)8(9)11-10(12)13/h4-5H,1-3H3,(H,11,13)
InChIKeyGCBXTQGEUHMEDF-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.88
Rot. Bonds2

About 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one

4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one (PubChem CID 13295893) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one
PubChem CID13295893
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one
SMILESCOc1ccc(OC)c2c1[nH]c(=O)n2C
InChIInChI=1S/C10H12N2O3/c1-12-9-7(15-3)5-4-6(14-2)8(9)11-10(12)13/h4-5H,1-3H3,(H,11,13)
InChIKeyGCBXTQGEUHMEDF-UHFFFAOYSA-N
XLogP0.88
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,7-dimethoxy-3-methyl-1H-benzimidazol-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 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one (CID 13295893) is 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one is COc1ccc(OC)c2c1[nH]c(=O)n2C.
What is the InChIKey of 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one?
The InChIKey is GCBXTQGEUHMEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12-9-7(15-3)5-4-6(14-2)8(9)11-10(12)13/h4-5H,1-3H3,(H,11,13).
What are the key properties of 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one?
4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one has a molecular weight of 208.22 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 13295893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).