![CAS 137898-68-1 1-methyl-2-(piperazin-1-yl)-1H-benzo[d]imidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/137898-68-1.gif)
CAS RN: 137898-68-1
1-methyl-2-(piperazin-1-yl)-1H-benzo[d]imidazole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250811 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS137898-68-1
- Purity/Analytical Methods: >99.0%
137898-68-1 / 1-methyl-2-piperazin-1-ylbenzimidazole
Basic Information
CAS
137898-68-1
Multi CAS
No
Molecular Formula
C12H16N4
Molecular Weight
216.280000
Exact Mass
216.137497
SMILES
CN1C2=CC=CC=C2N=C1N3CCNCC3
InChI
InChI=1S/C12H16N4/c1-15-11-5-3-2-4-10(11)14-12(15)16-8-6-13-7-9-16/h2-5,13H,6-9H2,1H3
InChIKey
XBTIVKKHGCXLGP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.8
TPSA
33.09
LogP / Solubility
WLOGP
0.98
MLOGP
0.87
XLogP3
1.1
Consensus LogP
0.98
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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