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CAS 14225-80-0 BENZIMIDAZOLE, 2-(2,5-DICHLOROPHENYL)- molecular structure lightbox
CAS RN: 14225-80-0

BENZIMIDAZOLE, 2-(2,5-DICHLOROPHENYL)-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250216 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS14225-80-0
  • Purity/Analytical Methods: >99.0%
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14225-80-0 / 2-(2,5-dichlorophenyl)-1H-benzimidazole

Standard CAS: 14225-80-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14225-80-0
Multi CAS
No
Molecular Formula
C13H8Cl2N2
Molecular Weight
263.120000
Exact Mass
262.006454
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C13H8Cl2N2/c14-8-5-6-10(15)9(7-8)13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17)
InChIKey
XWESCMJAJHAFPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
71.55
TPSA
28.68

LogP / Solubility

WLOGP
4.54
MLOGP
4
XLogP3
3.9
Consensus LogP
4.15
Log S (ESOL)
-4.92
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-1.1

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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