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CAS 1841081-72-8 1-(2-Ethoxyethyl)-2-(piperidin-4-yl)-1H-benzo[d]imidazole hydrochloride molecular structure lightbox
CAS RN: 1841081-72-8

1-(2-Ethoxyethyl)-2-(piperidin-4-yl)-1H-benzo[d]imidazole hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250402 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1841081-72-8
  • Purity/Analytical Methods: >99.0%
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1841081-72-8 / 1-(2-ethoxyethyl)-2-piperidin-4-ylbenzimidazole;hydrochloride

Standard CAS: 1841081-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1841081-72-8
Multi CAS
No
Molecular Formula
C16H24ClN3O
Molecular Weight
309.830000
Exact Mass
309.160790
SMILES
CCOCCN1C2=CC=CC=C2N=C1C3CCNCC3.Cl
InChI
InChI=1S/C16H23N3O.ClH/c1-2-20-12-11-19-15-6-4-3-5-14(15)18-16(19)13-7-9-17-10-8-13;/h3-6,13,17H,2,7-12H2,1H3;1H
InChIKey
YOWRIDDXDCHTLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.32
TPSA
39.08

LogP / Solubility

WLOGP
2.96
MLOGP
2.62
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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