CAS RN: 237429-65-1
1H-Benzimidazole-5-carbonitrile,2-(2-aminoethyl)-(9CI)
- Product code: SSC-115354
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: >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 |
|---|---|---|---|---|
| 1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
237429-65-1 / 2-(2-aminoethyl)-3H-benzimidazole-5-carbonitrile
Basic Information
CAS
237429-65-1
Multi CAS
No
Molecular Formula
C10H10N4
Molecular Weight
186.210000
Exact Mass
186.090546
SMILES
C1=CC2=C(C=C1C#N)NC(=N2)CCN
InChI
InChI=1S/C10H10N4/c11-4-3-10-13-8-2-1-7(6-12)5-9(8)14-10/h1-2,5H,3-4,11H2,(H,13,14)
InChIKey
QWJIEYFYJVDCSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.57
TPSA
78.49
LogP / Solubility
WLOGP
0.94
MLOGP
0.82
XLogP3
1
Consensus LogP
0.92
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19
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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