5-(dimethylamino)benzimidazol-2-one

C9H9N3O — CID 68790624

IUPAC5-(dimethylamino)benzimidazol-2-one
SMILESCN(C)c1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C9H9N3O/c1-12(2)6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,1-2H3
InChIKeyWGTOVCCDVXDVPU-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.13
Rot. Bonds1

About 5-(dimethylamino)benzimidazol-2-one

5-(dimethylamino)benzimidazol-2-one (PubChem CID 68790624) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-(dimethylamino)benzimidazol-2-one.

Molecular Properties

Compound Name5-(dimethylamino)benzimidazol-2-one
PubChem CID68790624
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name5-(dimethylamino)benzimidazol-2-one
SMILESCN(C)c1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C9H9N3O/c1-12(2)6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,1-2H3
InChIKeyWGTOVCCDVXDVPU-UHFFFAOYSA-N
XLogP0.13
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(dimethylamino)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 5-(dimethylamino)benzimidazol-2-one?
The IUPAC name of 5-(dimethylamino)benzimidazol-2-one (CID 68790624) is 5-(dimethylamino)benzimidazol-2-one.
What is the SMILES notation for 5-(dimethylamino)benzimidazol-2-one?
The canonical SMILES for 5-(dimethylamino)benzimidazol-2-one is CN(C)c1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of 5-(dimethylamino)benzimidazol-2-one?
The InChIKey is WGTOVCCDVXDVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-12(2)6-3-4-7-8(5-6)11-9(13)10-7/h3-5H,1-2H3.
What are the key properties of 5-(dimethylamino)benzimidazol-2-one?
5-(dimethylamino)benzimidazol-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)benzimidazol-2-one is sourced from PubChem (CID 68790624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).