CAS RN: 89505-04-4
N,N’-Bis(2-benzimidazolylmethyl)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.20250516 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS89505-04-4
- Purity/Analytical Methods: >99.0%
89505-04-4 / 1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)methanamine
Basic Information
CAS
89505-04-4
Multi CAS
No
Molecular Formula
C16H15N5
Molecular Weight
277.320000
Exact Mass
277.132746
InChI
InChI=1S/C16H15N5/c1-2-6-12-11(5-1)18-15(19-12)9-17-10-16-20-13-7-3-4-8-14(13)21-16/h1-8,17H,9-10H2,(H,18,19)(H,20,21)
InChIKey
HLODWGNONYOKOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
82.73
TPSA
69.39
LogP / Solubility
WLOGP
2.73
MLOGP
2.41
XLogP3
2
Consensus LogP
2.38
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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