CAS RN: 18249-98-4
1H-Benzimidazole,1-(methoxymethyl)-(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.20250502 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS18249-98-4
- Purity/Analytical Methods: >99.0%
18249-98-4 / 1-(methoxymethyl)benzimidazole
Basic Information
CAS
18249-98-4
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
SMILES
COCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C9H10N2O/c1-12-7-11-6-10-8-4-2-3-5-9(8)11/h2-6H,7H2,1H3
InChIKey
IGVBEHIUIDPEKE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
46.74
TPSA
27.05
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.07
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
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)
-2.54
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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