CAS RN: 126401-68-1
1H-Benzimidazole,1-pentyl-(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.20250608 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS126401-68-1
- Purity/Analytical Methods: >99.0%
126401-68-1 / 1-pentylbenzimidazole
Basic Information
CAS
126401-68-1
Multi CAS
No
Molecular Formula
C12H16N2
Molecular Weight
188.270000
Exact Mass
188.131349
SMILES
CCCCCN1C=NC2=CC=CC=C21
InChI
InChI=1S/C12H16N2/c1-2-3-6-9-14-10-13-11-7-4-5-8-12(11)14/h4-5,7-8,10H,2-3,6,9H2,1H3
InChIKey
LCTJVCKLBZGNTC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
59.26
TPSA
17.82
LogP / Solubility
WLOGP
3.23
MLOGP
2.84
XLogP3
3.2
Consensus LogP
3.09
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
Class (SILICOS-IT)
Slightly 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)
-1.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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