CAS RN: 1212-48-2
2-Benzylbenzimidazole Hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: SSC-022940
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
1212-48-2 / 2-benzyl-1H-benzimidazole;hydrochloride
Bendazol hydrochloride | Bendazol HCl | Dibazolum
Basic Information
CAS
1212-48-2
Multi CAS
Yes
Molecular Formula
C14H13ClN2
Molecular Weight
244.720000
Exact Mass
244.076726
SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2.Cl
InChI
InChI=1S/C14H12N2.ClH/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14;/h1-9H,10H2,(H,15,16);1H
InChIKey
CJTQARUHALKPGG-UHFFFAOYSA-N
Synonyms
Bendazol hydrochloride
Bendazol HCl
Dibazolum
UNII-ME751TL810
ME751TL810
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
72.59
TPSA
28.68
LogP / Solubility
WLOGP
3.58
MLOGP
3.15
XLogP3
3.58
Consensus LogP
3.44
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
