CAS RN: 1420959-03-0
2-(1-Pyridin-4-ylMethyl-piperidin-4-yl)-1H-benzoiMidazole
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260621 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1420959-03-0
- Purity/Analytical Methods: >99.0%
1420959-03-0 / 2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1H-benzimidazole
Basic Information
CAS
1420959-03-0
Multi CAS
No
Molecular Formula
C18H20N4
Molecular Weight
292.400000
Exact Mass
292.168797
SMILES
C1CN(CCC1C2=NC3=CC=CC=C3N2)CC4=CC=NC=C4
InChI
InChI=1S/C18H20N4/c1-2-4-17-16(3-1)20-18(21-17)15-7-11-22(12-8-15)13-14-5-9-19-10-6-14/h1-6,9-10,15H,7-8,11-13H2,(H,20,21)
InChIKey
MZGAGWBCDSKZNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
87.58
TPSA
44.81
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
2.5
Consensus LogP
2.93
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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)
-2.13
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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