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CAS 2562-77-8 2-(4-BIPHENYLYL)BENZIMIDAZOLE molecular structure lightbox
CAS RN: 2562-77-8

2-(4-BIPHENYLYL)BENZIMIDAZOLE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250320 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2562-77-8
  • Purity/Analytical Methods: >99.0%
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2562-77-8 / 2-(4-phenylphenyl)-1H-benzimidazole

Standard CAS: 2562-77-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2562-77-8
Multi CAS
No
Molecular Formula
C19H14N2
Molecular Weight
270.300000
Exact Mass
270.115698
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C19H14N2/c1-2-6-14(7-3-1)15-10-12-16(13-11-15)19-20-17-8-4-5-9-18(17)21-19/h1-13H,(H,20,21)
InChIKey
SAQHCMSUQDTMSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
21
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
86.97
TPSA
28.68

LogP / Solubility

WLOGP
4.9
MLOGP
4.32
XLogP3
4.9
Consensus LogP
4.71
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
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)
-0.89

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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