6-甲基-1H-苯并咪唑-2-乙腈
TL;DR: 6-甲基-1H-苯并咪唑-2-乙腈 (CAS 27099-22-5) is a chemical compound with molecular formula C10H9N3 and molecular weight 171.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-甲基-1H-苯并咪唑-2-乙腈
2-(6-methyl-1H-benzimidazol-2-yl)acetonitrile
Also Known As: 2-(Cyanomethyl)-5-methylbenzimidazole, (5-methyl-1H-benzimidazol-2-yl)acetonitrile, 2-BENZIMIDAZOLEACETONITRILE, 5-METHYL-, 2-(6-methyl-1H-benzimidazol-2-yl)acetonitrile, 5-Methyl-2-benzimidazoleacetonitrile
| Molecular Formula | C10H9N3 |
|---|---|
| Molecular Weight | 171.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.07965 |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 27099-22-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N2)CC#N |
| InChIKey | PDULDINSGIRDOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-甲基-1H-苯并咪唑-2-乙腈 (CAS 27099-22-5), with molecular formula C10H9N3 and molecular weight 171.08 g/mol. IUPAC: 2-(6-methyl-1H-benzimidazol-2-yl)acetonitrile.
Chemical Property Profile of 6-甲基-1H-苯并咪唑-2-乙腈
Property Insights of 6-甲基-1H-苯并咪唑-2-乙腈
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-甲基-1H-苯并咪唑-2-乙腈. With a topological polar surface area (TPSA) of 52.5 Ų, 6-甲基-1H-苯并咪唑-2-乙腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-甲基-1H-苯并咪唑-2-乙腈 has 1 hydrogen bond donor(s) and 2 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 6-甲基-1H-苯并咪唑-2-乙腈?
The CAS number of 6-甲基-1H-苯并咪唑-2-乙腈 is 27099-22-5.
What is the molecular formula of 6-甲基-1H-苯并咪唑-2-乙腈?
The molecular formula of 6-甲基-1H-苯并咪唑-2-乙腈 is C10H9N3.
What is the molecular weight of 6-甲基-1H-苯并咪唑-2-乙腈?
The molecular weight of 6-甲基-1H-苯并咪唑-2-乙腈 is 171.08 g/mol.
Where can I buy 6-甲基-1H-苯并咪唑-2-乙腈?
You can request a quote for 6-甲基-1H-苯并咪唑-2-乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-甲基-1H-苯并咪唑-2-乙腈?
Yes, KEHONG BIO provides custom synthesis services for 6-甲基-1H-苯并咪唑-2-乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.