(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile
TL;DR: (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile (CAS 54980-91-5) is a chemical compound with molecular formula C10H9N3O and molecular weight 187.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-2-oxobenzimidazol-1-yl)acetonitrile
Also Known As: (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile, 2-(3-methyl-2-oxobenzimidazol-1-yl)acetonitrile, 2-(3-Methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)acetonitrile, 2-(3-methyl-2-oxo-1-benzimidazolyl)acetonitrile, 2-(3-methyl-2-oxo-3-hydrobenzimidazolyl)ethanenitrile
| Molecular Formula | C10H9N3O |
|---|---|
| Molecular Weight | 187.07 g/mol |
| LogP | 0.86358 |
| Topological Polar Surface Area | 50.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.07455 |
| Heavy Atoms | 14 |
| Complexity | 571.0451 |
Chemical Identifiers
| CAS Number | 54980-91-5 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N(C1=O)CC#N |
Product Overview
(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile (CAS 54980-91-5), with molecular formula C10H9N3O and molecular weight 187.07 g/mol. IUPAC: 2-(3-methyl-2-oxobenzimidazol-1-yl)acetonitrile.
Chemical Property Profile of (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile
Property Insights of (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile
The XLogP value of 0.86358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile. With a topological polar surface area (TPSA) of 50.72 Ų, (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile has 0 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 (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile?
The CAS number of (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile is 54980-91-5.
What is the molecular formula of (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile?
The molecular formula of (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile is C10H9N3O.
What is the molecular weight of (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile?
The molecular weight of (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile is 187.07 g/mol.
Where can I buy (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile?
You can request a quote for (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.