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CAS 1420975-03-6 1-(4-Fluoro-benzyl)-2-piperidin-4-yl-1H-benzoiMidazole hydrochloride molecular structure lightbox
CAS RN: 1420975-03-6

1-(4-Fluoro-benzyl)-2-piperidin-4-yl-1H-benzoiMidazole hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251107 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1420975-03-6
  • Purity/Analytical Methods: >99.0%
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1420975-03-6 / 1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole;hydrochloride

Standard CAS: 1420975-03-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1420975-03-6
Multi CAS
No
Molecular Formula
C19H21ClFN3
Molecular Weight
345.800000
Exact Mass
345.140804
SMILES
C1CNCCC1C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F.Cl
InChI
InChI=1S/C19H20FN3.ClH/c20-16-7-5-14(6-8-16)13-23-18-4-2-1-3-17(18)22-19(23)15-9-11-21-12-10-15;/h1-8,15,21H,9-13H2;1H
InChIKey
NDJRJWSLOJNDGT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
97.33
TPSA
29.85

LogP / Solubility

WLOGP
4.11
MLOGP
3.64
XLogP3
4.11
Consensus LogP
3.95
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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