1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile
TL;DR: 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile (CAS 121802-99-1) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-(2-methylprop-1-enyl)imidazole-4-carbonitrile
Also Known As: E 5050, 3-methyl-2-(2-methylprop-2-enyl)imidazole-4-carbonitrile, 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile, 3-methyl-2-(2-methylprop-1-enyl)imidazole-4-carbonitrile, 1-METHYL-2-(2-METHYL-1-ALLYL)-1H-IMIDAZOLE-5-CARBONITRILE
| Molecular Formula | C9H11N3 |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.09529 |
| Heavy Atoms | 12 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 121802-99-1 |
|---|---|
| SMILES | CC(=CC1=NC=C(N1C)C#N)C |
| InChIKey | BXNADKKLRSOKHM-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile (CAS 121802-99-1), with molecular formula C9H11N3 and molecular weight 161.10 g/mol. IUPAC: 3-methyl-2-(2-methylprop-1-enyl)imidazole-4-carbonitrile.
Chemical Property Profile of 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile
Property Insights of 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile. With a topological polar surface area (TPSA) of 41.6 Ų, 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile 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 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile?
The CAS number of 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile is 121802-99-1.
What is the molecular formula of 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile?
The molecular formula of 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile is C9H11N3.
What is the molecular weight of 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile?
The molecular weight of 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile is 161.10 g/mol.
Where can I buy 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile?
You can request a quote for 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(2-methyl-1-propenyl)-1H-imidazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.