![CAS 1998160-90-9 4,4′-(1H-benzo[d]imidazole-4,7-diyl)dianiline molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1998160-90-9.png)
CAS RN: 1998160-90-9
4,4′-(1H-benzo[d]imidazole-4,7-diyl)dianiline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251211 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Hebei | Inquiry |
- Product code: LINH887605
1998160-90-9 / 4-[7-(4-aminophenyl)-3H-benzimidazol-4-yl]aniline
Basic Information
CAS
1998160-90-9
Multi CAS
No
Molecular Formula
C19H16N4
Molecular Weight
300.400000
Exact Mass
300.137497
SMILES
C1=CC(=CC=C1C2=C3C(=C(C=C2)C4=CC=C(C=C4)N)N=CN3)N
InChI
InChI=1S/C19H16N4/c20-14-5-1-12(2-6-14)16-9-10-17(19-18(16)22-11-23-19)13-3-7-15(21)8-4-13/h1-11H,20-21H2,(H,22,23)
InChIKey
VKSGBNJGARSEDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
95.79
TPSA
80.72
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
3.4
Consensus LogP
3.68
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.22
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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