5-amino-4,6-dimethylbenzimidazol-2-one

C9H9N3O — CID 18970466

IUPAC5-amino-4,6-dimethylbenzimidazol-2-one
SMILESCc1cc2c(c(C)c1N)=NC(=O)N=2
InChIInChI=1S/C9H9N3O/c1-4-3-6-8(5(2)7(4)10)12-9(13)11-6/h3H,10H2,1-2H3
InChIKeyUWKZLCDJMQZKKE-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.26
Rot. Bonds

About 5-amino-4,6-dimethylbenzimidazol-2-one

5-amino-4,6-dimethylbenzimidazol-2-one (PubChem CID 18970466) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-amino-4,6-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-4,6-dimethylbenzimidazol-2-one
PubChem CID18970466
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-amino-4,6-dimethylbenzimidazol-2-one
SMILESCc1cc2c(c(C)c1N)=NC(=O)N=2
InChIInChI=1S/C9H9N3O/c1-4-3-6-8(5(2)7(4)10)12-9(13)11-6/h3H,10H2,1-2H3
InChIKeyUWKZLCDJMQZKKE-UHFFFAOYSA-N
XLogP0.26
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-4,6-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-amino-4,6-dimethylbenzimidazol-2-one?
The IUPAC name of 5-amino-4,6-dimethylbenzimidazol-2-one (CID 18970466) is 5-amino-4,6-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-4,6-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-amino-4,6-dimethylbenzimidazol-2-one is Cc1cc2c(c(C)c1N)=NC(=O)N=2.
What is the InChIKey of 5-amino-4,6-dimethylbenzimidazol-2-one?
The InChIKey is UWKZLCDJMQZKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-4-3-6-8(5(2)7(4)10)12-9(13)11-6/h3H,10H2,1-2H3.
What are the key properties of 5-amino-4,6-dimethylbenzimidazol-2-one?
5-amino-4,6-dimethylbenzimidazol-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4,6-dimethylbenzimidazol-2-one is sourced from PubChem (CID 18970466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).