![CAS 191028-25-8 N-(5-bromo-1H-benzo[d]imidazol-2-yl)acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/191028-25-8.gif)
CAS RN: 191028-25-8
N-(5-bromo-1H-benzo[d]imidazol-2-yl)acetamide
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.20250110 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS191028-25-8
- Purity/Analytical Methods: >99.0%
191028-25-8 / N-(6-bromo-1H-benzimidazol-2-yl)acetamide
Basic Information
CAS
191028-25-8
Multi CAS
No
Molecular Formula
C9H8BrN3O
Molecular Weight
254.080000
Exact Mass
252.985070
SMILES
CC(=O)NC1=NC2=C(N1)C=C(C=C2)Br
InChI
InChI=1S/C9H8BrN3O/c1-5(14)11-9-12-7-3-2-6(10)4-8(7)13-9/h2-4H,1H3,(H2,11,12,13,14)
InChIKey
JMSPMALIKMKOCU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.1
TPSA
57.78
LogP / Solubility
WLOGP
2.28
MLOGP
2.02
XLogP3
1.8
Consensus LogP
2.03
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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