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CAS 20662-53-7 4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE molecular structure lightbox
CAS RN: 20662-53-7

4-(2-KETO-1-BENZIMIDAZOLINYL)PIPERIDINE

  • Product code: SSC-097341
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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: 0.25g, 1g, 5g, 10g
  • 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 20662-53-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Hong Kong Inquiry

20662-53-7 / 3-piperidin-4-yl-1H-benzimidazol-2-one

Standard CAS: 20662-53-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20662-53-7
Multi CAS
No
Molecular Formula
C12H15N3O
Molecular Weight
217.270000
Exact Mass
217.121512
SMILES
C1CNCCC1N2C3=CC=CC=C3NC2=O
InChI
InChI=1S/C12H15N3O/c16-12-14-10-3-1-2-4-11(10)15(12)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2,(H,14,16)
InChIKey
BYNBAMHAURJNTR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
63.7
TPSA
49.82

LogP / Solubility

WLOGP
1.25
MLOGP
1.11
XLogP3
1.5
Consensus LogP
1.29
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-3.15

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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