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CAS 127192-16-9 2-(Cyanomethyl)-5,6-dichlorobenzimidazole molecular structure lightbox
CAS RN: 127192-16-9

2-(Cyanomethyl)-5,6-dichlorobenzimidazole

  • Product code: SSC-034688
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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: 1g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 127192-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 3 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry

127192-16-9 / 2-(5,6-dichloro-1H-benzimidazol-2-yl)acetonitrile

Standard CAS: 127192-16-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
127192-16-9
Multi CAS
No
Molecular Formula
C9H5Cl2N3
Molecular Weight
226.060000
Exact Mass
224.986053
SMILES
C1=C2C(=CC(=C1Cl)Cl)N=C(N2)CC#N
InChI
InChI=1S/C9H5Cl2N3/c10-5-3-7-8(4-6(5)11)14-9(13-7)1-2-12/h3-4H,1H2,(H,13,14)
InChIKey
KXVWVUXOCWRYFS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.43
TPSA
52.47

LogP / Solubility

WLOGP
2.94
MLOGP
2.59
XLogP3
2.8
Consensus LogP
2.78
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.01

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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