[email protected]
CAS 55025-38-2 1H-Benzimidazole-2-acetonitrile,4-methyl-(9CI) molecular structure lightbox
CAS RN: 55025-38-2

1H-Benzimidazole-2-acetonitrile,4-methyl-(9CI)

  • Product code: SSC-162858
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 55025-38-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 2 In Stock Shanghai Inquiry
0.25g ≥97% 2 In Stock Hong Kong Inquiry
1g ≥97% 2 In Stock Beijing Inquiry

55025-38-2 / 2-(4-methyl-1H-benzimidazol-2-yl)acetonitrile

Standard CAS: 55025-38-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55025-38-2
Multi CAS
No
Molecular Formula
C10H9N3
Molecular Weight
171.200000
Exact Mass
171.079647
InChI
InChI=1S/C10H9N3/c1-7-3-2-4-8-10(7)13-9(12-8)5-6-11/h2-4H,5H2,1H3,(H,12,13)
InChIKey
XSQOQQAZUCYJKU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
50.15
TPSA
52.47

LogP / Solubility

WLOGP
1.94
MLOGP
1.7
XLogP3
1.5
Consensus LogP
1.71
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
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)
-2.39

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us