1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol)
TL;DR: 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol) (CAS 39677-11-7) is a chemical compound with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2-oxo-3H-benzimidazol-1-yl)butyl]-1H-benzimidazol-2-one
Also Known As: 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol), 1,1'-butane-1,4-diylbis(1,3-dihydro-2H-benzimidazol-2-one), 1-[4-(2-oxo-3-hydrobenzimidazolyl)butyl]-3-hydrobenzimidazol-2-one, 3-[4-(2-oxo-3H-benzimidazol-1-yl)butyl]-1H-benzimidazol-2-one, 1,1'-(BUTANE-1,4-DIYL)BIS(1H-BENZO[D]IMIDAZOL-2(3H)-ONE)
| Molecular Formula | C18H18N4O2 |
|---|---|
| Molecular Weight | 322.14 g/mol |
| LogP | 2.453 |
| Topological Polar Surface Area | 75.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.14297 |
| Heavy Atoms | 24 |
| Complexity | 1023.15686 |
Chemical Identifiers
| CAS Number | 39677-11-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)N2CCCCN3C4=CC=CC=C4NC3=O |
Product Overview
1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol) (CAS 39677-11-7), with molecular formula C18H18N4O2 and molecular weight 322.14 g/mol. IUPAC: 3-[4-(2-oxo-3H-benzimidazol-1-yl)butyl]-1H-benzimidazol-2-one.
Chemical Property Profile of 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol)
Property Insights of 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol)
The XLogP value of 2.453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol). The TPSA of 75.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol). Following Lipinski's Rule of Five, 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol) has 2 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 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol)?
The CAS number of 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol) is 39677-11-7.
What is the molecular formula of 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol)?
The molecular formula of 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol) is C18H18N4O2.
What is the molecular weight of 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol)?
The molecular weight of 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol) is 322.14 g/mol.
Where can I buy 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol)?
You can request a quote for 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-butane-1,4-diylbis(1H-benzimidazol-2-ol) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.