![10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one structure](/static/products/5178/517868-89-2.webp)
10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
TL;DR: 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 517868-89-2) is a chemical compound with molecular formula C33H36N4O and molecular weight 504.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1H-benzimidazol-2-ylmethyl)-6-(4-tert-butylphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-((1H-benzo[d]imidazol-2-yl)methyl)-11-(4-(tert-butyl)phenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one, 10-(1H-1,3-BENZIMIDAZOL-2-YLMETHYL)-11-[4-(TERT-BUTYL)PHENYL]-3,3-DIMETHYL-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE, 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol, 10-(benzimidazol-2-ylmethyl)-11-[4-(tert-butyl)phenyl]-3,3-dimethyl-2,3,4-trih ydro-5H,11H-benzo[b]benzo[2,1-f]1,4-diazepin-1-one
| Molecular Formula | C33H36N4O |
|---|---|
| Molecular Weight | 504.29 g/mol |
| LogP | 7.677 |
| Topological Polar Surface Area | 61.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 504.2889 |
| Heavy Atoms | 38 |
| Complexity | 1518.9199 |
Chemical Identifiers
| CAS Number | 517868-89-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)C(C)(C)C)C(=O)C1)C |
Product Overview
10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one (CAS 517868-89-2), with molecular formula C33H36N4O and molecular weight 504.29 g/mol. IUPAC: 5-(1H-benzimidazol-2-ylmethyl)-6-(4-tert-butylphenyl)-9,9-dimethyl-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
Chemical Property Profile of 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Property Insights of 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
The XLogP value of 7.677 indicates that 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one. Following Lipinski's Rule of Five, 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The CAS number of 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 517868-89-2.
What is the molecular formula of 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular formula of 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is C33H36N4O.
What is the molecular weight of 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
The molecular weight of 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one is 504.29 g/mol.
Where can I buy 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
You can request a quote for 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 10-(1H-benzimidazol-2-ylmethyl)-11-(4-tert-butylphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.