CAS RN: 50832-46-7
Ethanone, 1-(5-methyl-1H-benzimidazol-2-yl)- (9CI)
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.20250412 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS50832-46-7
- Purity/Analytical Methods: >99.0%
50832-46-7 / 1-(6-methyl-1H-benzimidazol-2-yl)ethanone
Basic Information
CAS
50832-46-7
Multi CAS
No
Molecular Formula
C10H10N2O
Molecular Weight
174.200000
Exact Mass
174.079313
InChI
InChI=1S/C10H10N2O/c1-6-3-4-8-9(5-6)12-10(11-8)7(2)13/h3-5H,1-2H3,(H,11,12)
InChIKey
FPPPVFGCSIOVCX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.84
TPSA
45.75
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.5
Consensus LogP
1.8
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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