[email protected]
CAS 142617-98-9 1-(4-FLUORO-BENZYL)-2-PIPERAZIN-1-YL-1H-BENZOIMIDAZOLE molecular structure lightbox
CAS RN: 142617-98-9

1-(4-FLUORO-BENZYL)-2-PIPERAZIN-1-YL-1H-BENZOIMIDAZOLE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250717 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS142617-98-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

142617-98-9 / 1-[(4-fluorophenyl)methyl]-2-piperazin-1-ylbenzimidazole

Standard CAS: 142617-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142617-98-9
Multi CAS
No
Molecular Formula
C18H19FN4
Molecular Weight
310.400000
Exact Mass
310.159375
SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F
InChI
InChI=1S/C18H19FN4/c19-15-7-5-14(6-8-15)13-23-17-4-2-1-3-16(17)21-18(23)22-11-9-20-10-12-22/h1-8,20H,9-13H2
InChIKey
UBXGZTRRRHVEAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
90.32
TPSA
33.09

LogP / Solubility

WLOGP
2.63
MLOGP
2.33
XLogP3
2.9
Consensus LogP
2.62
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
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)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us