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1-Allyl-1H-benzo[d]imidazol-2(3H)-one
TL;DR: 1-Allyl-1H-benzo[d]imidazol-2(3H)-one (CAS 72798-66-4) is a chemical compound with molecular formula C10H10N2O and molecular weight 174.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-prop-2-enyl-1H-benzimidazol-2-one
Also Known As: 1-Allyl-1H-benzo[d]imidazol-2(3H)-one, Domperidone Impurity 17, ChemDiv3_005275, Domperidone Impurity 21, 3-prop-2-enyl-1H-benzimidazol-2-one
| Molecular Formula | C10H10N2O |
|---|---|
| Molecular Weight | 174.08 g/mol |
| LogP | 1.5156 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.07932 |
| Heavy Atoms | 13 |
| Complexity | 492.8392 |
Chemical Identifiers
| CAS Number | 72798-66-4 |
|---|---|
| SMILES | C=CCN1C2=CC=CC=C2NC1=O |
Product Overview
1-Allyl-1H-benzo[d]imidazol-2(3H)-one (CAS 72798-66-4), with molecular formula C10H10N2O and molecular weight 174.08 g/mol. IUPAC: 3-prop-2-enyl-1H-benzimidazol-2-one.
Chemical Property Profile of 1-Allyl-1H-benzo[d]imidazol-2(3H)-one
Property Insights of 1-Allyl-1H-benzo[d]imidazol-2(3H)-one
The XLogP value of 1.5156 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-1H-benzo[d]imidazol-2(3H)-one. With a topological polar surface area (TPSA) of 37.79 Ų, 1-Allyl-1H-benzo[d]imidazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-1H-benzo[d]imidazol-2(3H)-one 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 1-Allyl-1H-benzo[d]imidazol-2(3H)-one?
The CAS number of 1-Allyl-1H-benzo[d]imidazol-2(3H)-one is 72798-66-4.
What is the molecular formula of 1-Allyl-1H-benzo[d]imidazol-2(3H)-one?
The molecular formula of 1-Allyl-1H-benzo[d]imidazol-2(3H)-one is C10H10N2O.
What is the molecular weight of 1-Allyl-1H-benzo[d]imidazol-2(3H)-one?
The molecular weight of 1-Allyl-1H-benzo[d]imidazol-2(3H)-one is 174.08 g/mol.
Where can I buy 1-Allyl-1H-benzo[d]imidazol-2(3H)-one?
You can request a quote for 1-Allyl-1H-benzo[d]imidazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-1H-benzo[d]imidazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-1H-benzo[d]imidazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.