CAS RN: 1622856-77-2
4-Methyl-1-pentyl-1H-benzimidazol-2-amine
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.20250804 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1622856-77-2
- Purity/Analytical Methods: >99.0%
1622856-77-2 / 4-methyl-1-pentylbenzimidazol-2-amine
Basic Information
CAS
1622856-77-2
Multi CAS
No
Molecular Formula
C13H19N3
Molecular Weight
217.310000
Exact Mass
217.157898
SMILES
CCCCCN1C2=CC=CC(=C2N=C1N)C
InChI
InChI=1S/C13H19N3/c1-3-4-5-9-16-11-8-6-7-10(2)12(11)15-13(16)14/h6-8H,3-5,9H2,1-2H3,(H2,14,15)
InChIKey
BWGFTWWXYOBSIL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.41
TPSA
43.84
LogP / Solubility
WLOGP
3.12
MLOGP
2.75
XLogP3
3.2
Consensus LogP
3.02
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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