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CAS 5805-57-2 (1H-BENZO[D]IMIDAZOL-2-YL)METHANAMINE molecular structure lightbox
CAS RN: 5805-57-2

(1H-BENZO[D]IMIDAZOL-2-YL)METHANAMINE

  • Product code: SSC-166262
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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: 10g
  • Available purity: ＞97%
  • 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 5805-57-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry

5805-57-2 / 1H-benzimidazol-2-ylmethanamine

Standard CAS: 5805-57-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5805-57-2
Multi CAS
Yes
Molecular Formula
C8H9N3
Molecular Weight
147.180000
Exact Mass
147.079647
InChI
InChI=1S/C8H9N3/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2,(H,10,11)
InChIKey
UCOSRTUSVXHIMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.99
TPSA
54.7

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
0.6
Consensus LogP
0.84
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

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

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