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CAS 19275-82-2 1H-Benzimidazole,2-(1-chloroethyl)-(9CI) molecular structure lightbox
CAS RN: 19275-82-2

1H-Benzimidazole,2-(1-chloroethyl)-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19275-82-2
  • Purity/Analytical Methods: >99.0%
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19275-82-2 / 2-(1-chloroethyl)-1H-benzimidazole

Standard CAS: 19275-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19275-82-2
Multi CAS
No
Molecular Formula
C9H9ClN2
Molecular Weight
180.630000
Exact Mass
180.045426
SMILES
CC(C1=NC2=CC=CC=C2N1)Cl
InChI
InChI=1S/C9H9ClN2/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h2-6H,1H3,(H,11,12)
InChIKey
FJBWNZYXAJCPKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.36
TPSA
28.68

LogP / Solubility

WLOGP
2.86
MLOGP
2.52
XLogP3
2.6
Consensus LogP
2.66
Log S (ESOL)
-3.25
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.33
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)
-1.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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