![CAS 167483-31-0 2-(phenethylthio)-1H-benzo[d]imidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/167483-31-0.gif)
CAS RN: 167483-31-0
2-(phenethylthio)-1H-benzo[d]imidazole
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.20251015 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS167483-31-0
- Purity/Analytical Methods: >99.0%
167483-31-0 / 2-(2-phenylethylsulfanyl)-1H-benzimidazole
Basic Information
CAS
167483-31-0
Multi CAS
No
Molecular Formula
C15H14N2S
Molecular Weight
254.400000
Exact Mass
254.087770
SMILES
C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C15H14N2S/c1-2-6-12(7-3-1)10-11-18-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
InChIKey
YXSILMYONHYNFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.96
TPSA
28.68
LogP / Solubility
WLOGP
3.9
MLOGP
3.44
XLogP3
4.1
Consensus LogP
3.81
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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