CAS RN: 288384-91-8

1H-Benzimidazol-5-ol,2-chloro-(9CI)

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  • Product code: starshine_CAS288384-91-8
  • Purity/Analytical Methods: >99.0%
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288384-91-8 / 2-chloro-3H-benzimidazol-5-ol

Standard CAS: 288384-91-8 Multi CAS: No

Basic Information

CAS
288384-91-8
Multi CAS
No
Molecular Formula
C7H5ClN2O
Molecular Weight
168.580000
Exact Mass
168.009041
InChI
InChI=1S/C7H5ClN2O/c8-7-9-5-2-1-4(11)3-6(5)10-7/h1-3,11H,(H,9,10)
InChIKey
HJRBXFFANXXCBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.77
TPSA
48.91

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2.2
Consensus LogP
1.94
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.38

Drug-likeness / Medicinal Chemistry

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

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