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CAS 1219184-91-4 1-[1,1′-Biphenyl]-4-yl-2-(2,3-dihydro-9H-iMidazo[1,2-a]benziMidazol-9-yl)-ethanone HydrobroMide molecular structure lightbox
CAS RN: 1219184-91-4

1-[1,1′-Biphenyl]-4-yl-2-(2,3-dihydro-9H-iMidazo[1,2-a]benziMidazol-9-yl)-ethanone HydrobroMide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251024 10mg / 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1219184-91-4
  • Purity/Analytical Methods: >99.0%
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1219184-91-4 / 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone;hydrobromide

Standard CAS: 1219184-91-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1219184-91-4
Multi CAS
No
Molecular Formula
C23H20BrN3O
Molecular Weight
434.300000
Exact Mass
433.078970
SMILES
C1CN2C3=CC=CC=C3N(C2=N1)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.Br
InChI
InChI=1S/C23H19N3O.BrH/c27-22(19-12-10-18(11-13-19)17-6-2-1-3-7-17)16-26-21-9-5-4-8-20(21)25-15-14-24-23(25)26;/h1-13H,14-16H2;1H
InChIKey
MPILENOYNNNGKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
119.97
TPSA
35.91

LogP / Solubility

WLOGP
4.81
MLOGP
4.26
XLogP3
4.81
Consensus LogP
4.63
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.96
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.95

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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