CAS RN: 14044-48-5
2-(1H-BENZOIMIDAZOL-2-YL)-QUINOLINE
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.20250628 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS14044-48-5
- Purity/Analytical Methods: >99.0%
14044-48-5 / 2-(1H-benzimidazol-2-yl)quinoline
Basic Information
CAS
14044-48-5
Multi CAS
No
Molecular Formula
C16H11N3
Molecular Weight
245.280000
Exact Mass
245.095297
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C16H11N3/c1-2-6-12-11(5-1)9-10-15(17-12)16-18-13-7-3-4-8-14(13)19-16/h1-10H,(H,18,19)
InChIKey
XSJAMRUTJCSRNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
19
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
76.83
TPSA
41.57
LogP / Solubility
WLOGP
3.78
MLOGP
3.33
XLogP3
3.5
Consensus LogP
3.54
Log S (ESOL)
-4.41
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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