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CAS 68321-03-9 2-(Biphenyl-4-ylmethyl)-1H-benzimidazole molecular structure lightbox
CAS RN: 68321-03-9

2-(Biphenyl-4-ylmethyl)-1H-benzimidazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250612 100mg / 250mg / 1g / 5g / 10g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS68321-03-9
  • Purity/Analytical Methods: >99.0%
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68321-03-9 / 2-[(4-phenylphenyl)methyl]-1H-benzimidazole

Standard CAS: 68321-03-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68321-03-9
Multi CAS
Yes
Molecular Formula
C20H16N2
Molecular Weight
284.400000
Exact Mass
284.131349
InChI
InChI=1S/C20H16N2/c1-2-6-16(7-3-1)17-12-10-15(11-13-17)14-20-21-18-8-4-5-9-19(18)22-20/h1-13H,14H2,(H,21,22)
InChIKey
MZOYCNRIPAARRB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
90.78
TPSA
28.68

LogP / Solubility

WLOGP
4.82
MLOGP
4.25
XLogP3
4.9
Consensus LogP
4.66
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
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)
-1.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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