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CAS 29914-81-6 1,3-bits（2-benzimidazolyl)benzene molecular structure lightbox
CAS RN: 29914-81-6

1,3-bits（2-benzimidazolyl)benzene

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250121 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250728 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251016 5g In stock Shenzhen, Wuhan Inquiry
  • Product code: starshine_CAS29914-81-6
  • Purity/Analytical Methods: >99.0%
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29914-81-6 / 2-[3-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole

Standard CAS: 29914-81-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29914-81-6
Multi CAS
Yes
Molecular Formula
C20H14N4
Molecular Weight
310.400000
Exact Mass
310.121846
InChI
InChI=1S/C20H14N4/c1-2-9-16-15(8-1)21-19(22-16)13-6-5-7-14(12-13)20-23-17-10-3-4-11-18(17)24-20/h1-12H,(H,21,22)(H,23,24)
InChIKey
DNYDWFIQGPJANT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
24
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
96.62
TPSA
57.36

LogP / Solubility

WLOGP
4.77
MLOGP
4.21
XLogP3
4.5
Consensus LogP
4.49
Log S (ESOL)
-5.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

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)
-1.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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