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CAS 1373155-12-4 3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl molecular structure lightbox
CAS RN: 1373155-12-4

3,3′,5,5′-tetra(1H-imidazol-1-yl)-1,1′-biphenyl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250404 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINH887241
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1373155-12-4 / 1-[3-[3,5-di(imidazol-1-yl)phenyl]-5-imidazol-1-ylphenyl]imidazole

Standard CAS: 1373155-12-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1373155-12-4
Multi CAS
No
Molecular Formula
C24H18N8
Molecular Weight
418.500000
Exact Mass
418.165443
SMILES
C1=CN(C=N1)C2=CC(=CC(=C2)C3=CC(=CC(=C3)N4C=CN=C4)N5C=CN=C5)N6C=CN=C6
InChI
InChI=1S/C24H18N8/c1-5-29(15-25-1)21-9-19(10-22(13-21)30-6-2-26-16-30)20-11-23(31-7-3-27-17-31)14-24(12-20)32-8-4-28-18-32/h1-18H
InChIKey
PPVJMDHSBJIRDN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
32
Rotatable bonds
5
H-bond acceptors
8
Molar refractivity
120.37
TPSA
71.28

LogP / Solubility

WLOGP
4.1
MLOGP
3.63
XLogP3
2.5
Consensus LogP
3.41
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.38
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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