CAS RN: 129748-92-1
1-Benzyl-2-iodoimidazole
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.20250331 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS129748-92-1
- Purity/Analytical Methods: >99.0%
129748-92-1 / 1-benzyl-2-iodoimidazole
Basic Information
CAS
129748-92-1
Multi CAS
No
Molecular Formula
C10H9IN2
Molecular Weight
284.100000
Exact Mass
283.981050
SMILES
C1=CC=C(C=C1)CN2C=CN=C2I
InChI
InChI=1S/C10H9IN2/c11-10-12-6-7-13(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
QWTKCNIXFIVLQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
60.49
TPSA
17.82
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.3
Consensus LogP
2.36
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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