5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole
TL;DR: 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole (CAS 691382-78-2) is a chemical compound with molecular formula C14H13N3O and molecular weight 239.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethyl-1H-indol-5-yl)-imidazol-1-ylmethanone
Also Known As: 2,3-dimethylindol-5-yl imidazolyl ketone, 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole, (2,3-dimethyl-1H-indol-5-yl)-imidazol-1-ylmethanone
| Molecular Formula | C14H13N3O |
|---|---|
| Molecular Weight | 239.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.10587 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 691382-78-2 |
|---|---|
| SMILES | CC1=C(NC2=C1C=C(C=C2)C(=O)N3C=CN=C3)C |
| InChIKey | HSXYXEJHGDLYEG-UHFFFAOYSA-N |
Product Overview
5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole (CAS 691382-78-2), with molecular formula C14H13N3O and molecular weight 239.11 g/mol. IUPAC: (2,3-dimethyl-1H-indol-5-yl)-imidazol-1-ylmethanone.
Chemical Property Profile of 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole
Property Insights of 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole. With a topological polar surface area (TPSA) of 50.7 Ų, 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole has 1 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 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole?
The CAS number of 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole is 691382-78-2.
What is the molecular formula of 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole?
The molecular formula of 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole is C14H13N3O.
What is the molecular weight of 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole?
The molecular weight of 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole is 239.11 g/mol.
Where can I buy 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole?
You can request a quote for 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 5-(1H-imidazole-1-carbonyl)-2,3-dimethyl-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.