![CAS 82410-79-5 1,1′-[1,4-Phenylenebis(methylene)]bis(2-methyl-1H-imidazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/82410-79-5.png)
CAS RN: 82410-79-5
1,1′-[1,4-Phenylenebis(methylene)]bis(2-methyl-1H-imidazole)
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251119 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP887481
82410-79-5 / 2-methyl-1-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]imidazole
Basic Information
CAS
82410-79-5
Multi CAS
No
Molecular Formula
C16H18N4
Molecular Weight
266.340000
Exact Mass
266.153147
InChI
InChI=1S/C16H18N4/c1-13-17-7-9-19(13)11-15-3-5-16(6-4-15)12-20-10-8-18-14(20)2/h3-10H,11-12H2,1-2H3
InChIKey
WMDWZOFWBUXBRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
78.57
TPSA
35.64
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
2.1
Consensus LogP
2.45
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
