2,2-Dimethyl-2H-benzimidazole 1,3-dioxide
TL;DR: 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide (CAS 31980-12-8) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-3-oxidobenzimidazol-1-ium 1-oxide
Also Known As: 2,2-dimethyl-2H-benzo[d]imidazole 1,3-dioxide, 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide, 2,2-dimethyl-3-oxidobenzimidazol-1-ium 1-oxide, 2,2-dimethyl-2H-1,3-benzodiazole-1,3-diium-1,3-bis(olate), 2,2-Dimethyl-2H-Benzimidazole-1,3-Dioxide
| Molecular Formula | C9H10N2O2 |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.07423 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 31980-12-8 |
|---|---|
| SMILES | CC1(N(C2=CC=CC=C2[N+]1=O)[O-])C |
| InChIKey | XQYKDQBVUBUIOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-2H-benzimidazole 1,3-dioxide (CAS 31980-12-8), with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol. IUPAC: 2,2-dimethyl-3-oxidobenzimidazol-1-ium 1-oxide.
Chemical Property Profile of 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide
Property Insights of 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide. With a topological polar surface area (TPSA) of 46.4 Ų, 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide?
The CAS number of 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide is 31980-12-8.
What is the molecular formula of 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide?
The molecular formula of 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide is C9H10N2O2.
What is the molecular weight of 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide?
The molecular weight of 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide is 178.07 g/mol.
Where can I buy 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide?
You can request a quote for 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-2H-benzimidazole 1,3-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.