1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone
TL;DR: 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone (CAS 349422-99-7) is a chemical compound with molecular formula C12H14N2O and molecular weight 202.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzimidazol-1-yl)-3-methylbutan-1-one
Also Known As: 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone, 1-(benzimidazol-1-yl)-3-methylbutan-1-one, 1-benzoimidazol-1-yl-3-methyl-butan-1-one, 1-(1H-benzimidazol-1-yl)-3-methylbutan-1-one
| Molecular Formula | C12H14N2O |
|---|---|
| Molecular Weight | 202.11 g/mol |
| LogP | 2.7226 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.11061 |
| Heavy Atoms | 15 |
| Complexity | 485.0827 |
Chemical Identifiers
| CAS Number | 349422-99-7 |
|---|---|
| SMILES | CC(C)CC(=O)N1C=NC2=CC=CC=C21 |
Product Overview
1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone (CAS 349422-99-7), with molecular formula C12H14N2O and molecular weight 202.11 g/mol. IUPAC: 1-(benzimidazol-1-yl)-3-methylbutan-1-one.
Chemical Property Profile of 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone
Property Insights of 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone
The XLogP value of 2.7226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone has 0 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-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone?
The CAS number of 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone is 349422-99-7.
What is the molecular formula of 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone?
The molecular formula of 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone is C12H14N2O.
What is the molecular weight of 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone?
The molecular weight of 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone is 202.11 g/mol.
Where can I buy 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone?
You can request a quote for 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-Benzimidazol-1-yl)-3-methyl-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.