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CAS 5918-97-8 2H-Benzimidazol-2-one,4-chloro-1,3-dihydro-(9CI) molecular structure lightbox
CAS RN: 5918-97-8

2H-Benzimidazol-2-one,4-chloro-1,3-dihydro-(9CI)

  • Product code: SSC-167598
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 5918-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

5918-97-8 / 4-chloro-1,3-dihydrobenzimidazol-2-one

Standard CAS: 5918-97-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5918-97-8
Multi CAS
No
Molecular Formula
C7H5CLN2O
Molecular Weight
168.580000
Exact Mass
168.009041
InChI
InChI=1S/C7H5ClN2O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,(H2,9,10,11)
InChIKey
IDGCFJLWZBBNNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
43.93
TPSA
48.65

LogP / Solubility

WLOGP
1.51
MLOGP
1.32
XLogP3
1.2
Consensus LogP
1.34
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
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)
-2.68

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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