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CAS 67273-55-6 1H-BENZIMIDAZOLE, 2-(4-ETHYLPHENYL)- molecular structure lightbox
CAS RN: 67273-55-6

1H-BENZIMIDAZOLE, 2-(4-ETHYLPHENYL)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250430 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS67273-55-6
  • Purity/Analytical Methods: >99.0%
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67273-55-6 / 2-(4-ethylphenyl)-1H-benzimidazole

Standard CAS: 67273-55-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67273-55-6
Multi CAS
No
Molecular Formula
C15H14N2
Molecular Weight
222.280000
Exact Mass
222.115698
InChI
InChI=1S/C15H14N2/c1-2-11-7-9-12(10-8-11)15-16-13-5-3-4-6-14(13)17-15/h3-10H,2H2,1H3,(H,16,17)
InChIKey
SGMVEXZRDKPEJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.91
TPSA
28.68

LogP / Solubility

WLOGP
3.79
MLOGP
3.34
XLogP3
4
Consensus LogP
3.71
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
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)
-1.38

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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