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CAS 59066-63-6 1-METHYL-2-STYRYL-1H-BENZOIMIDAZOLE molecular structure lightbox
CAS RN: 59066-63-6

1-METHYL-2-STYRYL-1H-BENZOIMIDAZOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS59066-63-6
  • Purity/Analytical Methods: >99.0%
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59066-63-6 / 1-methyl-2-(2-phenylethenyl)benzimidazole

Standard CAS: 59066-63-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
59066-63-6
Multi CAS
Yes
Molecular Formula
C16H14N2
Molecular Weight
234.290000
Exact Mass
234.115698
InChI
InChI=1S/C16H14N2/c1-18-15-10-6-5-9-14(15)17-16(18)12-11-13-7-3-2-4-8-13/h2-12H,1H3
InChIKey
QDZVXONVFRIVPN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
76.08
TPSA
17.82

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
3.7
Consensus LogP
3.58
Log S (ESOL)
-4.14
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.49

Drug-likeness / Medicinal Chemistry

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

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