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CAS 13395-19-2 1H-Benzimidazole-2-propanol,5-methyl-(9CI) molecular structure lightbox
CAS RN: 13395-19-2

1H-Benzimidazole-2-propanol,5-methyl-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS13395-19-2
  • Purity/Analytical Methods: >99.0%
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13395-19-2 / 3-(6-methyl-1H-benzimidazol-2-yl)propan-1-ol

Standard CAS: 13395-19-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13395-19-2
Multi CAS
No
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
SMILES
CC1=CC2=C(C=C1)N=C(N2)CCCO
InChI
InChI=1S/C11H14N2O/c1-8-4-5-9-10(7-8)13-11(12-9)3-2-6-14/h4-5,7,14H,2-3,6H2,1H3,(H,12,13)
InChIKey
JAGPUKBUCSGTCH-UHFFFAOYSA-N

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
2
Molar refractivity
56.24
TPSA
48.91

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.6
Consensus LogP
1.66
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
Class (SILICOS-IT)
Moderately 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)
-2.61

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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