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CAS 27692-04-2 2-IODO-1H-BENZOIMIDAZOLE molecular structure lightbox
CAS RN: 27692-04-2

2-IODO-1H-BENZOIMIDAZOLE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250428 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS27692-04-2
  • Purity/Analytical Methods: >99.0%
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27692-04-2 / 2-iodo-1H-benzimidazole

Standard CAS: 27692-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27692-04-2
Multi CAS
No
Molecular Formula
C7H5IN2
Molecular Weight
244.030000
Exact Mass
243.949750
InChI
InChI=1S/C7H5IN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
InChIKey
ZROZRIKRPGMZBK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.81
TPSA
28.68

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
2.4
Consensus LogP
2.16
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
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)
-2.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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