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CAS 380568-64-9 (1-ISOBUTYL-1H-BENZIMIDAZOL-2-YL)METHANOL molecular structure lightbox
CAS RN: 380568-64-9

(1-ISOBUTYL-1H-BENZIMIDAZOL-2-YL)METHANOL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS380568-64-9
  • Purity/Analytical Methods: >99.0%
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380568-64-9 / [1-(2-methylpropyl)benzimidazol-2-yl]methanol

Standard CAS: 380568-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
380568-64-9
Multi CAS
No
Molecular Formula
C12H16N2O
Molecular Weight
204.270000
Exact Mass
204.126263
InChI
InChI=1S/C12H16N2O/c1-9(2)7-14-11-6-4-3-5-10(11)13-12(14)8-15/h3-6,9,15H,7-8H2,1-2H3
InChIKey
JEYWGUJVFOUABW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.49
TPSA
38.05

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
1.9
Consensus LogP
2
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41

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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