2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-
TL;DR: 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl- (CAS 54986-47-9) is a chemical compound with molecular formula C13H9ClN2O and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-phenyl-1H-benzimidazol-2-one
Also Known As: 3-Phenyl-5-chloro-benzimidazolin-2-one, 5-Chloro-2-phenylindazolin-3-one, 5-chloro-3-phenyl-1H-benzimidazol-2-one, 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-, 6-chloro-1,3-dihydro-1-phenyl-2H-benzimidazol-2-one
| Molecular Formula | C13H9ClN2O |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.04034 |
| Heavy Atoms | 17 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 54986-47-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=CC(=C3)Cl)NC2=O |
| InChIKey | UCBSMOSFCAQPAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl- (CAS 54986-47-9), with molecular formula C13H9ClN2O and molecular weight 244.04 g/mol. IUPAC: 5-chloro-3-phenyl-1H-benzimidazol-2-one.
Chemical Property Profile of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-
Property Insights of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-. With a topological polar surface area (TPSA) of 32.3 Ų, 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl- has 1 hydrogen bond donor(s) and 1 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 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-?
The CAS number of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl- is 54986-47-9.
What is the molecular formula of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-?
The molecular formula of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl- is C13H9ClN2O.
What is the molecular weight of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-?
The molecular weight of 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl- is 244.04 g/mol.
Where can I buy 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-?
You can request a quote for 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Benzimidazol-2-one, 1,3-dihydro-6-chloro-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.