CAS RN: 213133-77-8
2-(3,4-Dichlorobenzyl)-1H-benzimidazole
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251128 | 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Hebei, Guangdong | Inquiry |
- Product code: SSC-101770
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: 25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
213133-77-8 / 2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
Basic Information
CAS
213133-77-8
Multi CAS
No
Molecular Formula
C14H10Cl2N2
Molecular Weight
277.100000
Exact Mass
276.022104
SMILES
C1=CC=C2C(=C1)NC(=N2)CC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H10Cl2N2/c15-10-6-5-9(7-11(10)16)8-14-17-12-3-1-2-4-13(12)18-14/h1-7H,8H2,(H,17,18)
InChIKey
XPFCXIKQEQOMMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75.36
TPSA
28.68
LogP / Solubility
WLOGP
4.46
MLOGP
3.93
XLogP3
4.7
Consensus LogP
4.36
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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