1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-
TL;DR: 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)- (CAS 72766-19-9) is a chemical compound with molecular formula C13H15N5O4 and molecular weight 305.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4,6-dinitro-5-piperidin-1-yl-1H-benzimidazole
Also Known As: 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-, 4,6-Dinitro-2-methyl-5-(1-piperidinyl)-1H-benzimidazole, 2-methyl-4,6-dinitro-5-piperidin-1-yl-1H-benzimidazole, 2-methyl-4,6-dinitro-5-(1-piperidyl)-1H-benzimidazole, 2-methyl-4,6-dinitro-5-(piperidin-1-yl)-1H-benzimidazole
| Molecular Formula | C13H15N5O4 |
|---|---|
| Molecular Weight | 305.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 305.1124 |
| Heavy Atoms | 22 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 72766-19-9 |
|---|---|
| SMILES | CC1=NC2=C(C(=C(C=C2N1)[N+](=O)[O-])N3CCCCC3)[N+](=O)[O-] |
| InChIKey | IGCKSSGGIKBOHB-UHFFFAOYSA-N |
Product Overview
1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)- (CAS 72766-19-9), with molecular formula C13H15N5O4 and molecular weight 305.11 g/mol. IUPAC: 2-methyl-4,6-dinitro-5-piperidin-1-yl-1H-benzimidazole.
Chemical Property Profile of 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-
Property Insights of 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-. Following Lipinski's Rule of Five, 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)- has 1 hydrogen bond donor(s) and 6 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 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-?
The CAS number of 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)- is 72766-19-9.
What is the molecular formula of 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-?
The molecular formula of 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)- is C13H15N5O4.
What is the molecular weight of 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-?
The molecular weight of 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)- is 305.11 g/mol.
Where can I buy 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-?
You can request a quote for 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzimidazole, 4,6-dinitro-2-methyl-5-(1-piperidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.