![CAS 942195-82-6 4-(benzyloxy)-2-methyl-1H-benzo[d]imidazole-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/942195-82-6.gif)
CAS RN: 942195-82-6
4-(benzyloxy)-2-methyl-1H-benzo[d]imidazole-6-carbonitrile
- Product code: SSC-208824
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: 0.25g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
942195-82-6 / 2-methyl-7-phenylmethoxy-3H-benzimidazole-5-carbonitrile
Basic Information
CAS
942195-82-6
Multi CAS
No
Molecular Formula
C16H13N3O
Molecular Weight
263.290000
Exact Mass
263.105862
InChI
InChI=1S/C16H13N3O/c1-11-18-14-7-13(9-17)8-15(16(14)19-11)20-10-12-5-3-2-4-6-12/h2-8H,10H2,1H3,(H,18,19)
InChIKey
QSQPSRSFSVAKEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.32
TPSA
61.7
LogP / Solubility
WLOGP
3.32
MLOGP
2.93
XLogP3
3.1
Consensus LogP
3.12
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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4-(benzyloxy)-2-methyl-1H-benzo[d]imidazole-6-carboxylic acid
- CAS RN: 942195-83-7
- Product Code: SSC-208825
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7-hydroxy-N,N,2-triMethyl-3-tosyl-3H-benzo[d]iMidazole-5-carboxaMide
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- Product Code: SSC-208828
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