[email protected]
CAS 2247996-19-4 4,4′-(1,5-dihydrobenzo[1,2-d:4,5-d’]diimidazole-2,6-diyl)dibenzonitrile molecular structure lightbox
CAS RN: 2247996-19-4

4,4′-(1,5-dihydrobenzo[1,2-d:4,5-d’]diimidazole-2,6-diyl)dibenzonitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250305 1g Out of stock Inquiry
  • Product code: starshine_CAS2247996-19-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2247996-19-4 / 4-[2-(4-cyanophenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzonitrile

Standard CAS: 2247996-19-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2247996-19-4
Multi CAS
No
Molecular Formula
C22H12N6
Molecular Weight
360.400000
Exact Mass
360.112344
SMILES
C1=CC(=CC=C1C#N)C2=NC3=CC4=C(C=C3N2)NC(=N4)C5=CC=C(C=C5)C#N
InChI
InChI=1S/C22H12N6/c23-11-13-1-5-15(6-2-13)21-25-17-9-19-20(10-18(17)26-21)28-22(27-19)16-7-3-14(12-24)4-8-16/h1-10H,(H,25,26)(H,27,28)
InChIKey
LMCHHBFNHZYAAM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
106.05
TPSA
104.94

LogP / Solubility

WLOGP
4.52
MLOGP
3.99
XLogP3
3.8
Consensus LogP
4.1
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
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
Yes
Log Kp (skin permeation)
-1.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us