1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one
TL;DR: 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one (CAS 487006-10-0) is a chemical compound with molecular formula C14H19N3O and molecular weight 245.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one
Also Known As: ChemDiv2_003206, CHEMBRDG-BB 5522694, Diaethylstilbestroldipropargylaether, BAS 00619275, 1-(2-IMINO-3-METHYL-2,3-DIHYDRO-1H-BENZIMIDAZOL-1-YL)-3,3-DIMETHYLBUTAN-2-ONE
| Molecular Formula | C14H19N3O |
|---|---|
| Molecular Weight | 245.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 47.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.15282 |
| Heavy Atoms | 18 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 487006-10-0 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C2=CC=CC=C2N(C1=N)C |
| InChIKey | AXGOFAWLPKTGJK-UHFFFAOYSA-N |
Product Overview
1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one (CAS 487006-10-0), with molecular formula C14H19N3O and molecular weight 245.15 g/mol. IUPAC: 1-(2-imino-3-methylbenzimidazol-1-yl)-3,3-dimethylbutan-2-one.
Chemical Property Profile of 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one
Property Insights of 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one. With a topological polar surface area (TPSA) of 47.4 Ų, 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one 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 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one?
The CAS number of 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one is 487006-10-0.
What is the molecular formula of 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one?
The molecular formula of 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one is C14H19N3O.
What is the molecular weight of 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one?
The molecular weight of 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one is 245.15 g/mol.
Where can I buy 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one?
You can request a quote for 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-YL)-3,3-dimethylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.