4,5-dimethylbenzimidazol-2-one

C9H8N2O — CID 68557084

IUPAC4,5-dimethylbenzimidazol-2-one
SMILESCc1ccc2c(c1C)=NC(=O)N=2
InChIInChI=1S/C9H8N2O/c1-5-3-4-7-8(6(5)2)11-9(12)10-7/h3-4H,1-2H3
InChIKeyDPZVWEJQDDVDQR-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.68
Rot. Bonds

About 4,5-dimethylbenzimidazol-2-one

4,5-dimethylbenzimidazol-2-one (PubChem CID 68557084) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 4,5-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name4,5-dimethylbenzimidazol-2-one
PubChem CID68557084
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name4,5-dimethylbenzimidazol-2-one
SMILESCc1ccc2c(c1C)=NC(=O)N=2
InChIInChI=1S/C9H8N2O/c1-5-3-4-7-8(6(5)2)11-9(12)10-7/h3-4H,1-2H3
InChIKeyDPZVWEJQDDVDQR-UHFFFAOYSA-N
XLogP0.68
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5-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 4,5-dimethylbenzimidazol-2-one?
The IUPAC name of 4,5-dimethylbenzimidazol-2-one (CID 68557084) is 4,5-dimethylbenzimidazol-2-one.
What is the SMILES notation for 4,5-dimethylbenzimidazol-2-one?
The canonical SMILES for 4,5-dimethylbenzimidazol-2-one is Cc1ccc2c(c1C)=NC(=O)N=2.
What is the InChIKey of 4,5-dimethylbenzimidazol-2-one?
The InChIKey is DPZVWEJQDDVDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-5-3-4-7-8(6(5)2)11-9(12)10-7/h3-4H,1-2H3.
What are the key properties of 4,5-dimethylbenzimidazol-2-one?
4,5-dimethylbenzimidazol-2-one has a molecular weight of 160.18 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylbenzimidazol-2-one is sourced from PubChem (CID 68557084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).