CAS RN: 67370-32-5

2-(3,4-Dichlorophenyl)-1H-benzimidazole

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  • Product code: starshine_CAS67370-32-5
  • Purity/Analytical Methods: >99.0%
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67370-32-5 / 2-(3,4-dichlorophenyl)-1H-benzimidazole

Standard CAS: 67370-32-5 Multi CAS: No

Basic Information

CAS
67370-32-5
Multi CAS
No
Molecular Formula
C13H8CL2N2
Molecular Weight
263.120000
Exact Mass
262.006454
InChI
InChI=1S/C13H8Cl2N2/c14-9-6-5-8(7-10(9)15)13-16-11-3-1-2-4-12(11)17-13/h1-7H,(H,16,17)
InChIKey
HFRQRSXRKCUENZ-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
4.5
Consensus LogP
4.35
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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