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CAS 110534-24-2 Benzimidazole, 4(or 7)-methoxy-2-propyl- (6CI) molecular structure lightbox
CAS RN: 110534-24-2

Benzimidazole, 4(or 7)-methoxy-2-propyl- (6CI)

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Batchno.20251015 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS110534-24-2
  • Purity/Analytical Methods: >99.0%
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110534-24-2 / 4-methoxy-2-propyl-1H-benzimidazole

Benzimidazole, 4(or 7)-methoxy-2-propyl- (6CI) | 4-methoxy-2-propyl-1H-benzimidazole | SCHEMBL15767458

Standard CAS: 110534-24-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
110534-24-2
Multi CAS
No
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
SMILES
CCCC1=NC2=C(N1)C=CC=C2OC
InChI
InChI=1S/C11H14N2O/c1-3-5-10-12-8-6-4-7-9(14-2)11(8)13-10/h4,6-7H,3,5H2,1-2H3,(H,12,13)
InChIKey
ANFNQGJFSPDBMM-UHFFFAOYSA-N
Synonyms
Benzimidazole, 4(or 7)-methoxy-2-propyl- (6CI) 4-methoxy-2-propyl-1H-benzimidazole SCHEMBL15767458 ANFNQGJFSPDBMM-UHFFFAOYSA-N 4-methoxy-2-propyl-1H-benzo[d]imidazole

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.64
TPSA
37.91

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.35
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09

Drug-likeness / Medicinal Chemistry

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

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