[email protected]
CAS 2097800-60-5 2-(1-Aminoethyl)-5-chlorobenzimidazole Hydrochloride molecular structure lightbox
CAS RN: 2097800-60-5

2-(1-Aminoethyl)-5-chlorobenzimidazole Hydrochloride

  • Product code: SSC-099600
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: ≥95%
  • 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 2097800-60-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Beijing Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Shenzhen Inquiry

2097800-60-5 / 1-(6-chloro-1H-benzimidazol-2-yl)ethanamine;hydrochloride

Standard CAS: 2097800-60-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2097800-60-5
Multi CAS
No
Molecular Formula
C9H11Cl2N3
Molecular Weight
232.110000
Exact Mass
231.033003
SMILES
CC(C1=NC2=C(N1)C=C(C=C2)Cl)N.Cl
InChI
InChI=1S/C9H10ClN3.ClH/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9;/h2-5H,11H2,1H3,(H,12,13);1H
InChIKey
ZRHZPBLSTXZCET-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.95
TPSA
54.7

LogP / Solubility

WLOGP
2.66
MLOGP
2.34
XLogP3
2.66
Consensus LogP
2.55
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us