![CAS 64263-00-9 5,6-dimethyl-2-(pyridin-4-yl)-1H-benzo[d]imidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/64263-00-9.gif)
CAS RN: 64263-00-9
5,6-dimethyl-2-(pyridin-4-yl)-1H-benzo[d]imidazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251209 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS64263-00-9
- Purity/Analytical Methods: >99.0%
64263-00-9 / 5,6-dimethyl-2-pyridin-4-yl-1H-benzimidazole
Basic Information
CAS
64263-00-9
Multi CAS
No
Molecular Formula
C14H13N3
Molecular Weight
223.270000
Exact Mass
223.110947
InChI
InChI=1S/C14H13N3/c1-9-7-12-13(8-10(9)2)17-14(16-12)11-3-5-15-6-4-11/h3-8H,1-2H3,(H,16,17)
InChIKey
RUMHYCVQHHQYSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.8
TPSA
41.57
LogP / Solubility
WLOGP
3.24
MLOGP
2.86
XLogP3
2.8
Consensus LogP
2.97
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.92
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
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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