![CAS 70006-24-5 2-[[4-(2-PYRIDINYL)-1-PIPERAZINYL]METHYL]-1H-BENZIMIDAZOLE TRIHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/70006-24-5.gif)
CAS RN: 70006-24-5
2-[[4-(2-PYRIDINYL)-1-PIPERAZINYL]METHYL]-1H-BENZIMIDAZOLE TRIHYDROCHLORIDE
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS70006-24-5
- Purity/Analytical Methods: >99.0%
70006-24-5 / 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
Basic Information
CAS
70006-24-5
Multi CAS
Yes
Molecular Formula
C17H19N5
Molecular Weight
293.400000
Exact Mass
293.164046
InChI
InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
InChIKey
FRPJGTNLZNXQEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
87.82
TPSA
48.05
LogP / Solubility
WLOGP
2.28
MLOGP
2.02
XLogP3
2.2
Consensus LogP
2.17
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly 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)
-2.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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