![CAS 156144-42-2 2-(CHLOROMETHYL)-6-FLUORO-1H-BENZO[D]IMIDAZOLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/156144-42-2.gif)
CAS RN: 156144-42-2
2-(CHLOROMETHYL)-6-FLUORO-1H-BENZO[D]IMIDAZOLE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-065248
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
156144-42-2 / 2-(chloromethyl)-6-fluoro-1H-benzimidazole
Basic Information
CAS
156144-42-2
Multi CAS
No
Molecular Formula
C8H6ClFN2
Molecular Weight
184.600000
Exact Mass
184.020354
SMILES
C1=CC2=C(C=C1F)NC(=N2)CCl
InChI
InChI=1S/C8H6ClFN2/c9-4-8-11-6-2-1-5(10)3-7(6)12-8/h1-3H,4H2,(H,11,12)
InChIKey
UNFCWWHNSUKYSH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.61
TPSA
28.68
LogP / Solubility
WLOGP
2.44
MLOGP
2.15
XLogP3
2.5
Consensus LogP
2.36
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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