CAS RN: 21578-58-5
(1H-BENZOIMIDAZOL-2-YL)-PHENYL-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.20250130 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS21578-58-5
- Purity/Analytical Methods: >99.0%
21578-58-5 / N-phenyl-1H-benzimidazol-2-amine
Basic Information
CAS
21578-58-5
Multi CAS
No
Molecular Formula
C13H11N3
Molecular Weight
209.250000
Exact Mass
209.095297
SMILES
C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H11N3/c1-2-6-10(7-3-1)14-13-15-11-8-4-5-9-12(11)16-13/h1-9H,(H2,14,15,16)
InChIKey
OUAAURDVPDKVAK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.82
TPSA
40.71
LogP / Solubility
WLOGP
3.31
MLOGP
2.91
XLogP3
3.1
Consensus LogP
3.11
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-1.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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