Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-
TL;DR: Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)- (CAS 108612-52-8) is a chemical compound with molecular formula C25H25N7O and molecular weight 439.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile
Also Known As: Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-, 4-[(2-{4-[Methyl(6-oxo-1,6-dihydropyrimidin-2-yl)amino]piperidin-1-yl}-1H-1,3-benzimidazol-1-yl)methyl]benzonitrile, 4-[[2-[4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile, RefChem:328042
| Molecular Formula | C25H25N7O |
|---|---|
| Molecular Weight | 439.21 g/mol |
| LogP | 3.14478 |
| Topological Polar Surface Area | 93.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.21207 |
| Heavy Atoms | 33 |
| Complexity | 1358.0321 |
Chemical Identifiers
| CAS Number | 108612-52-8 |
|---|---|
| SMILES | CN(C1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)C#N)C5=NC=CC(=O)N5 |
Product Overview
Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)- (CAS 108612-52-8), with molecular formula C25H25N7O and molecular weight 439.21 g/mol. IUPAC: 4-[[2-[4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidin-1-yl]benzimidazol-1-yl]methyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-
Property Insights of Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-
The XLogP value of 3.14478 indicates that Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-. Following Lipinski's Rule of Five, Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)- has 1 hydrogen bond donor(s) and 6 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 Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-?
The CAS number of Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)- is 108612-52-8.
What is the molecular formula of Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-?
The molecular formula of Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)- is C25H25N7O.
What is the molecular weight of Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-?
The molecular weight of Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)- is 439.21 g/mol.
Where can I buy Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-?
You can request a quote for Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-((2-(4-((1,4-dihydro-4-oxo-2-pyrimidinyl)methylamino)-1-piperidinyl)-1H-benzimidazol-1-yl)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.