Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
10394-39-5 / 5-methoxy-1-methylbenzimidazole
5-methoxy-1-methylbenzimidazole | DTXSID60401630 | RefChem:303676
Basic Information
CAS
10394-39-5
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
SMILES
CN1C=NC2=C1C=CC(=C2)OC
InChI
InChI=1S/C9H10N2O/c1-11-6-10-8-5-7(12-2)3-4-9(8)11/h3-6H,1-2H3
InChIKey
HQACNRVQEIYCKZ-UHFFFAOYSA-N
Synonyms
5-methoxy-1-methylbenzimidazole
DTXSID60401630
RefChem:303676
DTXCID50352485
5-Methoxy-1-methyl-1H-benzo[d]imidazole
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
47.27
TPSA
27.05
LogP / Solubility
WLOGP
1.58
MLOGP
1.39
XLogP3
1.4
Consensus LogP
1.46
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-2.59
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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