3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole
TL;DR: 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole (CAS 150446-04-1) is a chemical compound with molecular formula C20H18N4O2 and molecular weight 346.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-3-(imidazol-1-ylmethyl)-2-methyl-5-nitroindole
Also Known As: 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole, 1-benzyl-3-(imidazol-1-ylmethyl)-2-methyl-5-nitroindole, 1-Benzyl-3-[(1H-imidazol-1-yl)methyl]-2-methyl-5-nitro-1H-indole
| Molecular Formula | C20H18N4O2 |
|---|---|
| Molecular Weight | 346.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 68.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.14297 |
| Heavy Atoms | 26 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 150446-04-1 |
|---|---|
| SMILES | CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])CN4C=CN=C4 |
| InChIKey | KKYYXNKNUHPCHM-UHFFFAOYSA-N |
Product Overview
3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole (CAS 150446-04-1), with molecular formula C20H18N4O2 and molecular weight 346.14 g/mol. IUPAC: 1-benzyl-3-(imidazol-1-ylmethyl)-2-methyl-5-nitroindole.
Chemical Property Profile of 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole
Property Insights of 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole
The XLogP value of 3.5 indicates that 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole. Following Lipinski's Rule of Five, 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole has 0 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 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole?
The CAS number of 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole is 150446-04-1.
What is the molecular formula of 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole?
The molecular formula of 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole is C20H18N4O2.
What is the molecular weight of 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole?
The molecular weight of 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole is 346.14 g/mol.
Where can I buy 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole?
You can request a quote for 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-Imidazol-1-ylmethyl)-2-methyl-5-nitro-1-(phenylmethyl)-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.