![CAS 1324077-08-8 [2-(1-Isopropyl-1H-benzimidazol-2-yl)ethyl]amine dihydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12555789.gif)
CAS RN: 1324077-08-8
[2-(1-Isopropyl-1H-benzimidazol-2-yl)ethyl]amine dihydrochloride
- Product code: SSC-039318
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 | Shanghai | Inquiry |
1324077-08-8 / 2-(1-propan-2-ylbenzimidazol-2-yl)ethanamine;dihydrochloride
Basic Information
CAS
1324077-08-8
Multi CAS
No
Molecular Formula
C12H19Cl2N3
Molecular Weight
276.200000
Exact Mass
275.095603
SMILES
CC(C)N1C2=CC=CC=C2N=C1CCN.Cl.Cl
InChI
InChI=1S/C12H17N3.2ClH/c1-9(2)15-11-6-4-3-5-10(11)14-12(15)7-8-13;;/h3-6,9H,7-8,13H2,1-2H3;2*1H
InChIKey
SRWYVGXIYYPNML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
77.37
TPSA
43.84
LogP / Solubility
WLOGP
2.96
MLOGP
2.62
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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