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CAS 20224-10-6 2-Cinnamoylbenzimidazole molecular structure lightbox
CAS RN: 20224-10-6

2-Cinnamoylbenzimidazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250926 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS20224-10-6
  • Purity/Analytical Methods: >99.0%
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20224-10-6 / (E)-1-(1H-benzimidazol-2-yl)-3-phenylprop-2-en-1-one

Standard CAS: 20224-10-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20224-10-6
Multi CAS
No
Molecular Formula
C16H12N2O
Molecular Weight
248.280000
Exact Mass
248.094963
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H12N2O/c19-15(11-10-12-6-2-1-3-7-12)16-17-13-8-4-5-9-14(13)18-16/h1-11H,(H,17,18)/b11-10+
InChIKey
HRDWTSALKOENCD-ZHACJKMWSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.9
TPSA
45.75

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.6
Consensus LogP
3.37
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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