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CAS 59871-40-8 2-benzyl-1-methyl-1H-benzo[d]imidazole molecular structure lightbox
CAS RN: 59871-40-8

2-benzyl-1-methyl-1H-benzo[d]imidazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250505 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS59871-40-8
  • Purity/Analytical Methods: >99.0%
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59871-40-8 / 2-benzyl-1-methylbenzimidazole

Standard CAS: 59871-40-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
59871-40-8
Multi CAS
No
Molecular Formula
C15H14N2
Molecular Weight
222.280000
Exact Mass
222.115698
InChI
InChI=1S/C15H14N2/c1-17-14-10-6-5-9-13(14)16-15(17)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKey
BAXXIBXLWXEPGF-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
2
Molar refractivity
69.96
TPSA
17.82

LogP / Solubility

WLOGP
3.16
MLOGP
2.79
XLogP3
3.4
Consensus LogP
3.12
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.97
Class (SILICOS-IT)
Poorly 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)
-1.83

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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