CAS RN: 1220714-37-3
1,2,4,5-tetra(1H-imidazol-1-yl)benzene
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.20250901 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINH887196
1220714-37-3 / 1-[2,4,5-tri(imidazol-1-yl)phenyl]imidazole
Basic Information
CAS
1220714-37-3
Multi CAS
No
Molecular Formula
C18H14N8
Molecular Weight
342.400000
Exact Mass
342.134142
SMILES
C1=CN(C=N1)C2=CC(=C(C=C2N3C=CN=C3)N4C=CN=C4)N5C=CN=C5
InChI
InChI=1S/C18H14N8/c1-5-23(11-19-1)15-9-17(25-7-3-21-13-25)18(26-8-4-22-14-26)10-16(15)24-6-2-20-12-24/h1-14H
InChIKey
DZKDAFGOBRZQPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
26
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
94.93
TPSA
71.28
LogP / Solubility
WLOGP
2.43
MLOGP
2.15
XLogP3
0.9
Consensus LogP
1.83
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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