![CAS 1519538-34-1 1-benzyl-6-fluoro-1H-benzo[d]imidazol-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1519538-34-1(2).gif)
CAS RN: 1519538-34-1
1-benzyl-6-fluoro-1H-benzo[d]imidazol-2(3H)-one
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.20260102 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1519538-34-1
- Purity/Analytical Methods: >99.0%
1519538-34-1 / 3-benzyl-5-fluoro-1H-benzimidazol-2-one
Basic Information
CAS
1519538-34-1
Multi CAS
No
Molecular Formula
C14H11FN2O
Molecular Weight
242.250000
Exact Mass
242.085541
SMILES
C1=CC=C(C=C1)CN2C3=C(C=CC(=C3)F)NC2=O
InChI
InChI=1S/C14H11FN2O/c15-11-6-7-12-13(8-11)17(14(18)16-12)9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,18)
InChIKey
LZDVUVQNYRCLAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
68.06
TPSA
37.79
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
2.3
Consensus LogP
2.35
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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)
-2.41
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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