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CAS 26840-48-2 1-(2-MORPHOLIN-4-YLETHYL)-1H-BENZIMIDAZOL-2-AMINE molecular structure lightbox
CAS RN: 26840-48-2

1-(2-MORPHOLIN-4-YLETHYL)-1H-BENZIMIDAZOL-2-AMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250225 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS26840-48-2
  • Purity/Analytical Methods: >99.0%
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26840-48-2 / 1-(2-morpholin-4-ylethyl)benzimidazol-2-amine

Standard CAS: 26840-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26840-48-2
Multi CAS
No
Molecular Formula
C13H18N4O
Molecular Weight
246.310000
Exact Mass
246.148061
SMILES
C1COCCN1CCN2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C13H18N4O/c14-13-15-11-3-1-2-4-12(11)17(13)6-5-16-7-9-18-10-8-16/h1-4H,5-10H2,(H2,14,15)
InChIKey
YIJDTMJFCSHGHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
71.4
TPSA
56.31

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.7
Consensus LogP
0.83
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
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)
-3.55

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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