5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride
TL;DR: 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride (CAS 883534-29-0) is a chemical compound with molecular formula C13H18ClN3O and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[(prop-2-enylamino)methyl]benzimidazol-2-one;hydrochloride
Also Known As: 5-ALLYLAMINOMETHYL-1,3-DIMETHYL-1,3-DIHYDRO-BENZOIMIDAZOL-2-ONE HYDROCHLORIDE, 8122AC, (4-Isopropylbenzyl)(pyridin-4-ylmethyl)amine, 1,3-dimethyl-5-[(prop-2-enylamino)methyl]benzimidazol-2-one;hydrochloride, 1H-Pyrazole-4,4,5,5-tetracarboxylic acid,tetramethyl ester
| Molecular Formula | C13H18ClN3O |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 1.5744 |
| Topological Polar Surface Area | 38.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.11383 |
| Heavy Atoms | 18 |
| Complexity | 612.4593 |
Chemical Identifiers
| CAS Number | 883534-29-0 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)CNCC=C)N(C1=O)C.Cl |
Product Overview
5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride (CAS 883534-29-0), with molecular formula C13H18ClN3O and molecular weight 267.11 g/mol. IUPAC: 1,3-dimethyl-5-[(prop-2-enylamino)methyl]benzimidazol-2-one;hydrochloride.
Chemical Property Profile of 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride
Property Insights of 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride
The XLogP value of 1.5744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride. With a topological polar surface area (TPSA) of 38.96 Ų, 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride 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-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride?
The CAS number of 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride is 883534-29-0.
What is the molecular formula of 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride?
The molecular formula of 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride is C13H18ClN3O.
What is the molecular weight of 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride?
The molecular weight of 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride is 267.11 g/mol.
Where can I buy 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride?
You can request a quote for 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Allylaminomethyl-1,3-dimethyl-1,3-dihydro-benzoimidazol-2-one hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.