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CAS 2620-83-9 1-(4-Methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo[d]imidazole molecular structure lightbox
CAS RN: 2620-83-9

1-(4-Methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo[d]imidazole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250124 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2620-83-9
  • Purity/Analytical Methods: >99.0%
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2620-83-9 / 2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]benzimidazole

Standard CAS: 2620-83-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2620-83-9
Multi CAS
No
Molecular Formula
C22H20N2O2
Molecular Weight
344.400000
Exact Mass
344.152478
SMILES
COC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H20N2O2/c1-25-18-11-7-16(8-12-18)15-24-21-6-4-3-5-20(21)23-22(24)17-9-13-19(26-2)14-10-17/h3-14H,15H2,1-2H3
InChIKey
YDUZZETWBAQFAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
21
Fraction Csp3
0.14
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
103.82
TPSA
36.28

LogP / Solubility

WLOGP
4.77
MLOGP
4.21
XLogP3
4.6
Consensus LogP
4.53
Log S (ESOL)
-5.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44

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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