5-Methylbenzimidazolone
TL;DR: 5-Methylbenzimidazolone (CAS 6131-14-2) is a chemical compound with molecular formula C8H8N2O and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1,3-dihydrobenzimidazol-2-one
Also Known As: 5-Methyl-1H-benzo[d]imidazol-2(3H)-one, 5-Methylbenzimidazolone, 5-Methyl-1,3-dihydro-2H-benzimidazol-2-one, 5-METHYLBENZOIMIDAZOL-2(3H)-ONE, 2H-Benzimidazol-2-one, 1,3-dihydro-5-methyl-
| Molecular Formula | C8H8N2O |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 148.06366 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 6131-14-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)N2 |
| InChIKey | CTCHXZUMFHNSHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylbenzimidazolone (CAS 6131-14-2), with molecular formula C8H8N2O and molecular weight 148.06 g/mol. IUPAC: 5-methyl-1,3-dihydrobenzimidazol-2-one.
Chemical Property Profile of 5-Methylbenzimidazolone
Property Insights of 5-Methylbenzimidazolone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylbenzimidazolone. With a topological polar surface area (TPSA) of 41.1 Ų, 5-Methylbenzimidazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylbenzimidazolone has 2 hydrogen bond donor(s) and 1 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 5-Methylbenzimidazolone?
The CAS number of 5-Methylbenzimidazolone is 6131-14-2.
What is the molecular formula of 5-Methylbenzimidazolone?
The molecular formula of 5-Methylbenzimidazolone is C8H8N2O.
What is the molecular weight of 5-Methylbenzimidazolone?
The molecular weight of 5-Methylbenzimidazolone is 148.06 g/mol.
Where can I buy 5-Methylbenzimidazolone?
You can request a quote for 5-Methylbenzimidazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylbenzimidazolone?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylbenzimidazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.