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CAS 302339-26-0 1H-Benzimidazol-2-amine,N-(4-piperidinylmethyl)- molecular structure lightbox
CAS RN: 302339-26-0

1H-Benzimidazol-2-amine,N-(4-piperidinylmethyl)-

  • Product code: SSC-133991
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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 302339-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

302339-26-0 / N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine

Standard CAS: 302339-26-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
302339-26-0
Multi CAS
No
Molecular Formula
C13H18N4
Molecular Weight
230.310000
Exact Mass
230.153147
InChI
InChI=1S/C13H18N4/c1-2-4-12-11(3-1)16-13(17-12)15-9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2,(H2,15,16,17)
InChIKey
RKTKILLHVKYTEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
70.18
TPSA
52.74

LogP / Solubility

WLOGP
1.97
MLOGP
1.74
XLogP3
1.9
Consensus LogP
1.87
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.72

Drug-likeness / Medicinal Chemistry

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

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