5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one
TL;DR: 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one (CAS 21472-35-5) is a chemical compound with molecular formula C14H9N3O4 and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one
Also Known As: 5-(3-nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one, 5-(3-Nitrobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one
| Molecular Formula | C14H9N3O4 |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | 1.9954 |
| Topological Polar Surface Area | 108.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0593 |
| Heavy Atoms | 21 |
| Complexity | 923.1139 |
Chemical Identifiers
| CAS Number | 21472-35-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC3=C(C=C2)NC(=O)N3 |
Product Overview
5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one (CAS 21472-35-5), with molecular formula C14H9N3O4 and molecular weight 283.06 g/mol. IUPAC: 5-(3-nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one.
Chemical Property Profile of 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one
Property Insights of 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one
The XLogP value of 1.9954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one. The TPSA of 108.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one. Following Lipinski's Rule of Five, 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one has 2 hydrogen bond donor(s) and 4 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-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The CAS number of 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one is 21472-35-5.
What is the molecular formula of 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The molecular formula of 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one is C14H9N3O4.
What is the molecular weight of 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one?
The molecular weight of 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one is 283.06 g/mol.
Where can I buy 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one?
You can request a quote for 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Nitrobenzoyl)-1,3-dihydrobenzimidazol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.