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CAS 1935632-45-3 2-(Hydroxymethyl)-5-iodobenzimidazole molecular structure lightbox
CAS RN: 1935632-45-3

2-(Hydroxymethyl)-5-iodobenzimidazole

  • Product code: SSC-091194
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1935632-45-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1935632-45-3 / (6-iodo-1H-benzimidazol-2-yl)methanol

Standard CAS: 1935632-45-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935632-45-3
Multi CAS
No
Molecular Formula
C8H7IN2O
Molecular Weight
274.060000
Exact Mass
273.960310
SMILES
C1=CC2=C(C=C1I)NC(=N2)CO
InChI
InChI=1S/C8H7IN2O/c9-5-1-2-6-7(3-5)11-8(4-12)10-6/h1-3,12H,4H2,(H,10,11)
InChIKey
OSIPCWGHJGQJLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.73
TPSA
48.91

LogP / Solubility

WLOGP
1.66
MLOGP
1.47
XLogP3
1.3
Consensus LogP
1.48
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21

Drug-likeness / Medicinal Chemistry

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

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