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CAS 305346-87-6 1H-Benzimidazole,1-(3-methylbutyl)-(9CI) molecular structure lightbox
CAS RN: 305346-87-6

1H-Benzimidazole,1-(3-methylbutyl)-(9CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS305346-87-6
  • Purity/Analytical Methods: >99.0%
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305346-87-6 / 1-(3-methylbutyl)benzimidazole

Standard CAS: 305346-87-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
305346-87-6
Multi CAS
No
Molecular Formula
C12H16N2
Molecular Weight
188.270000
Exact Mass
188.131349
InChI
InChI=1S/C12H16N2/c1-10(2)7-8-14-9-13-11-5-3-4-6-12(11)14/h3-6,9-10H,7-8H2,1-2H3
InChIKey
VQHDTNKPHBMTIK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
59.19
TPSA
17.82

LogP / Solubility

WLOGP
3.08
MLOGP
2.71
XLogP3
3.1
Consensus LogP
2.96
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-1.68

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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