[email protected]
CAS 36947-70-3 1H-Benzimidazole,2-cyclohexyl-(9CI) molecular structure lightbox
CAS RN: 36947-70-3

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

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260303 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS36947-70-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

36947-70-3 / 2-cyclohexyl-1H-benzimidazole

Standard CAS: 36947-70-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
36947-70-3
Multi CAS
No
Molecular Formula
C13H16N2
Molecular Weight
200.280000
Exact Mass
200.131349
InChI
InChI=1S/C13H16N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h4-5,8-10H,1-3,6-7H2,(H,14,15)
InChIKey
ZUKYCLYMFNPDCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.92
TPSA
28.68

LogP / Solubility

WLOGP
3.61
MLOGP
3.18
XLogP3
4
Consensus LogP
3.6
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.08
Class (SILICOS-IT)
Slightly 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)
-1.38

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us