CAS RN: 26972-40-7
1H-Benzimidazole,1-ethenyl-(9CI)
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.20250424 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS26972-40-7
- Purity/Analytical Methods: >99.0%
26972-40-7 / 1-ethenylbenzimidazole
Basic Information
CAS
26972-40-7
Multi CAS
No
Molecular Formula
C9H8N2
Molecular Weight
144.170000
Exact Mass
144.068748
SMILES
C=CN1C=NC2=CC=CC=C21
InChI
InChI=1S/C9H8N2/c1-2-11-7-10-8-5-3-4-6-9(8)11/h2-7H,1H2
InChIKey
KBICSUODQLDGFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.12
TPSA
17.82
LogP / Solubility
WLOGP
2.14
MLOGP
1.87
XLogP3
2
Consensus LogP
2
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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