CAS RN: 2622-73-3
1-Phenyl-2-(4-chlorophenyl)benzimidazole
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.20260123 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2622-73-3
- Purity/Analytical Methods: >99.0%
2622-73-3 / 2-(4-chlorophenyl)-1-phenylbenzimidazole
Basic Information
CAS
2622-73-3
Multi CAS
No
Molecular Formula
C19H13ClN2
Molecular Weight
304.800000
Exact Mass
304.076726
SMILES
C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H13ClN2/c20-15-12-10-14(11-13-15)19-21-17-8-4-5-9-18(17)22(19)16-6-2-1-3-7-16/h1-13H
InChIKey
UIPUDGKVGCGPAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
91.52
TPSA
17.82
LogP / Solubility
WLOGP
5.35
MLOGP
4.72
XLogP3
5.4
Consensus LogP
5.16
Log S (ESOL)
-5.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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