CAS RN: 24425-13-6
2-TERT-BUTYLBENZIMIDAZOLE
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.20251024 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24425-13-6
- Purity/Analytical Methods: >99.0%
24425-13-6 / 2-tert-butyl-1H-benzimidazole
Basic Information
CAS
24425-13-6
Multi CAS
No
Molecular Formula
C11H14N2
Molecular Weight
174.240000
Exact Mass
174.115698
SMILES
CC(C)(C)C1=NC2=CC=CC=C2N1
InChI
InChI=1S/C11H14N2/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3,(H,12,13)
InChIKey
ZQWHWRQRGKZTSE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.79
TPSA
28.68
LogP / Solubility
WLOGP
2.86
MLOGP
2.51
XLogP3
3.5
Consensus LogP
2.96
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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