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CAS 65215-19-2 1-[3-[4-(dibenzyl)piperazin-1-yl]propyl]-1,3-dihydro-2h-benzimidazol-2-one dihydrochloride molecular structure lightbox
CAS RN: 65215-19-2

1-[3-[4-(dibenzyl)piperazin-1-yl]propyl]-1,3-dihydro-2h-benzimidazol-2-one dihydrochloride

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251106 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS65215-19-2
  • Purity/Analytical Methods: >99.0%
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65215-19-2 / 3-[3-(2,4-dibenzylpiperazin-1-yl)propyl]-1H-benzimidazol-2-one;dihydrochloride

Standard CAS: 65215-19-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65215-19-2
Multi CAS
Yes
Molecular Formula
C28H34CL2N4O
Molecular Weight
513.500000
Exact Mass
512.210967
InChI
InChI=1S/C27H30N4O.2ClH/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23;;/h1-8,10-15,26H,9,16-21H2,(H,28,32);2*1H
InChIKey
JCGGWCLKZXCRRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
21
Fraction Csp3
0.32
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
148.9
TPSA
44.27

LogP / Solubility

WLOGP
4.99
MLOGP
4.43
XLogP3
4.99
Consensus LogP
4.8
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-7.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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