![CAS 1417794-15-0 {1-[1-(4-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417794-15-0.gif)
CAS RN: 1417794-15-0
{1-[1-(4-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-Methanol
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260524 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1417794-15-0
- Purity/Analytical Methods: >99.0%
1417794-15-0 / [1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]methanol
Basic Information
CAS
1417794-15-0
Multi CAS
No
Molecular Formula
C20H22FN3O
Molecular Weight
339.400000
Exact Mass
339.174691
SMILES
C1CN(CCC1CO)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F
InChI
InChI=1S/C20H22FN3O/c21-17-7-5-15(6-8-17)13-24-19-4-2-1-3-18(19)22-20(24)23-11-9-16(14-25)10-12-23/h1-8,16,25H,9-14H2
InChIKey
IVXVFSROJNULRF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.26
TPSA
41.29
LogP / Solubility
WLOGP
3.43
MLOGP
3.04
XLogP3
3.7
Consensus LogP
3.39
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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)
-2.35
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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