CAS RN: 213133-88-1
2-(2-Chlorobenzyl)-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.20250909 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS213133-88-1
- Purity/Analytical Methods: >99.0%
213133-88-1 / 2-[(2-chlorophenyl)methyl]-1H-benzimidazole
Basic Information
CAS
213133-88-1
Multi CAS
No
Molecular Formula
C14H11ClN2
Molecular Weight
242.700000
Exact Mass
242.061076
SMILES
C1=CC=C(C(=C1)CC2=NC3=CC=CC=C3N2)Cl
InChI
InChI=1S/C14H11ClN2/c15-11-6-2-1-5-10(11)9-14-16-12-7-3-4-8-13(12)17-14/h1-8H,9H2,(H,16,17)
InChIKey
XYDPQCXIGVLALP-UHFFFAOYSA-N
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
70.35
TPSA
28.68
LogP / Solubility
WLOGP
3.81
MLOGP
3.36
XLogP3
3.9
Consensus LogP
3.69
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
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)
-1.5
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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