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2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile
TL;DR: 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile (CAS 62591-10-0) is a chemical compound with molecular formula C10H7N3O and molecular weight 185.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-oxopropanenitrile
Also Known As: 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile, 2-(1H-benzimidazol-2-yl)-3-oxopropanenitrile, 2-(1H-benzoimidazol-2-yl)-3-oxo-propanenitrile, 1H-Benzimidazole-2-acetonitrile, alpha-formyl- (9CI), 2-(1H-1,3-BENZODIAZOL-2-YL)-3-OXOPROPANENITRILE
| Molecular Formula | C10H7N3O |
|---|---|
| Molecular Weight | 185.06 g/mol |
| LogP | 1.36898 |
| Topological Polar Surface Area | 69.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.05891 |
| Heavy Atoms | 14 |
| Complexity | 476.3066 |
Chemical Identifiers
| CAS Number | 62591-10-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(C=O)C#N |
Product Overview
2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile (CAS 62591-10-0), with molecular formula C10H7N3O and molecular weight 185.06 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-oxopropanenitrile.
Chemical Property Profile of 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile
Property Insights of 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile
The XLogP value of 1.36898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile. The TPSA of 69.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile has 1 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-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile?
The CAS number of 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile is 62591-10-0.
What is the molecular formula of 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile?
The molecular formula of 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile is C10H7N3O.
What is the molecular weight of 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile?
The molecular weight of 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile is 185.06 g/mol.
Where can I buy 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile?
You can request a quote for 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Benzo[d]imidazol-2-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.