CAS RN: 1736-34-1
6-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)-1H-benzimidazole
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.20250517 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1736-34-1
- Purity/Analytical Methods: >99.0%
1736-34-1 / 6-chloro-1-ethyl-2-methyl-5-(trifluoromethyl)benzimidazole
Basic Information
CAS
1736-34-1
Multi CAS
No
Molecular Formula
C11H10ClF3N2
Molecular Weight
262.660000
Exact Mass
262.048461
SMILES
CCN1C(=NC2=C1C=C(C(=C2)C(F)(F)F)Cl)C
InChI
InChI=1S/C11H10ClF3N2/c1-3-17-6(2)16-9-4-7(11(13,14)15)8(12)5-10(9)17/h4-5H,3H2,1-2H3
InChIKey
ZINJVKDSCBDJRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
60.16
TPSA
17.82
LogP / Solubility
WLOGP
4.04
MLOGP
3.56
XLogP3
3.7
Consensus LogP
3.77
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.84
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46
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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