TL;DR: 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(10,11-dihydro-5H-dibenzo(a,d)cyclohepen-5-yl)-1-piperazinyl)propyl)-, monohydrochloride (CAS 121942-93-6) is a chemical compound with molecular formula C29H33ClN4O and molecular weight 488.23428 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one;hydrochloride
Also Known As: 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(10,11-dihydro-5H-dibenzo(a,d)cyclohepen-5-yl)-1-piperazinyl)propyl)-, monohydrochloride, 1-{3-[4-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)piperazin-1-yl]propyl}-1,3-dihydro-2H-1,3-benzimidazol-2-one--hydrogen chloride (1/1)
| Molecular Formula | C29H33ClN4O |
| Molecular Weight | 488.23428 g/mol |
| XLogP | 4.6473 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.23428 Da |
| Heavy Atoms | 35 |
| Complexity | 668.0 |
| SMILES | C1CC2=CC=CC=C2C(C3=CC=CC=C31)N4CCN(CC4)CCCN5C6=CC=CC=C6NC5=O.Cl |
| InChIKey | YEFFNYSDMVVRBV-UHFFFAOYSA-N |
The XLogP value of 4.6473 indicates that 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(10,11-dihydro-5H-dibenzo(a,d)cyclohepen-5-yl)-1-piperazinyl)propyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(10,11-dihydro-5H-dibenzo(a,d)cyclohepen-5-yl)-1-piperazinyl)propyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(10,11-dihydro-5H-dibenzo(a,d)cyclohepen-5-yl)-1-piperazinyl)propyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(10,11-dihydro-5H-dibenzo(a,d)cyclohepen-5-yl)-1-piperazinyl)propyl)-, monohydrochloride is 121942-93-6.
The molecular formula of 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(10,11-dihydro-5H-dibenzo(a,d)cyclohepen-5-yl)-1-piperazinyl)propyl)-, monohydrochloride is C29H33ClN4O.
The molecular weight of 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(10,11-dihydro-5H-dibenzo(a,d)cyclohepen-5-yl)-1-piperazinyl)propyl)-, monohydrochloride is 488.23428 g/mol.
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