![CAS 1186302-88-4 1,1′-(1,4-Phenylene)bis[1H-benzimidazole] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1186302-88-4.gif)
CAS RN: 1186302-88-4
1,1′-(1,4-Phenylene)bis[1H-benzimidazole]
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.20260411 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1186302-88-4
- Purity/Analytical Methods: >99.0%
1186302-88-4 / 1-[4-(benzimidazol-1-yl)phenyl]benzimidazole
1,4-Bis(1H-benzo[d]imidazol-1-yl)benzene | 1-[4-(benzimidazol-1-yl)phenyl]benzimidazole | 1,1'-(1,4-Phenylene)bis[1H-benzimidazole]
Basic Information
CAS
1186302-88-4
Multi CAS
No
Molecular Formula
C20H14N4
Molecular Weight
310.400000
Exact Mass
310.121846
SMILES
C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)N4C=NC5=CC=CC=C54
InChI
InChI=1S/C20H14N4/c1-3-7-19-17(5-1)21-13-23(19)15-9-11-16(12-10-15)24-14-22-18-6-2-4-8-20(18)24/h1-14H
InChIKey
XJKDWBBZAPRNFF-UHFFFAOYSA-N
Synonyms
1,4-Bis(1H-benzo[d]imidazol-1-yl)benzene
1-[4-(benzimidazol-1-yl)phenyl]benzimidazole
1,1'-(1,4-Phenylene)bis[1H-benzimidazole]
SCHEMBL3419279
SCHEMBL30402227
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
95.7
TPSA
35.64
LogP / Solubility
WLOGP
4.36
MLOGP
3.85
XLogP3
4.3
Consensus LogP
4.17
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.54
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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