CAS RN: 25660-37-1
1H-Benzimidazole,1-(2-pyridinyl)-(9CI)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250104 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS25660-37-1
- Purity/Analytical Methods: >99.0%
25660-37-1 / 1-pyridin-2-ylbenzimidazole
Basic Information
CAS
25660-37-1
Multi CAS
No
Molecular Formula
C12H9N3
Molecular Weight
195.220000
Exact Mass
195.079647
SMILES
C1=CC=C2C(=C1)N=CN2C3=CC=CC=N3
InChI
InChI=1S/C12H9N3/c1-2-6-11-10(5-1)14-9-15(11)12-7-3-4-8-13-12/h1-9H
InChIKey
ZTJWSSVLQJKPTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
58.87
TPSA
30.71
LogP / Solubility
WLOGP
2.42
MLOGP
2.13
XLogP3
2.4
Consensus LogP
2.32
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.19
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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