![CAS 1241675-83-1 6-Chloro-2-(piperidin-4-yl)-1H-benzo[d]imidazole dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1241675-83-1.png)
CAS RN: 1241675-83-1
6-Chloro-2-(piperidin-4-yl)-1H-benzo[d]imidazole dihydrochloride
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.20260201 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINC905171
1241675-83-1 / 6-chloro-2-piperidin-4-yl-1H-benzimidazole;dihydrochloride
Basic Information
CAS
1241675-83-1
Multi CAS
No
Molecular Formula
C12H16Cl3N3
Molecular Weight
308.600000
Exact Mass
307.040981
SMILES
C1CNCCC1C2=NC3=C(N2)C=C(C=C3)Cl.Cl.Cl
InChI
InChI=1S/C12H14ClN3.2ClH/c13-9-1-2-10-11(7-9)16-12(15-10)8-3-5-14-6-4-8;;/h1-2,7-8,14H,3-6H2,(H,15,16);2*1H
InChIKey
WJXXZXXHZJYMIZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
80.44
TPSA
40.71
LogP / Solubility
WLOGP
3.53
MLOGP
3.12
XLogP3
3.53
Consensus LogP
3.39
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1
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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