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CAS 3584-65-4 2-(TRICHLOROMETHYL)-BENZIMIDAZOLE molecular structure lightbox
CAS RN: 3584-65-4

2-(TRICHLOROMETHYL)-BENZIMIDAZOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250115 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS3584-65-4
  • Purity/Analytical Methods: >99.0%
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3584-65-4 / 2-(trichloromethyl)-1H-benzimidazole

Standard CAS: 3584-65-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3584-65-4
Multi CAS
Yes
Molecular Formula
C8H5CL3N2
Molecular Weight
235.500000
Exact Mass
233.951831
InChI
InChI=1S/C8H5Cl3N2/c9-8(10,11)7-12-5-3-1-2-4-6(5)13-7/h1-4H,(H,12,13)
InChIKey
ZVFSYTFFWGYEMM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.33
TPSA
28.68

LogP / Solubility

WLOGP
3.39
MLOGP
2.99
XLogP3
3.4
Consensus LogP
3.26
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-1.75

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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