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CAS 299936-69-9 1H-Benzimidazole-2-methanol,1-ethyl-alpha-methyl-(9CI) molecular structure lightbox
CAS RN: 299936-69-9

1H-Benzimidazole-2-methanol,1-ethyl-alpha-methyl-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250306 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS299936-69-9
  • Purity/Analytical Methods: >99.0%
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299936-69-9 / 1-(1-ethylbenzimidazol-2-yl)ethanol

Standard CAS: 299936-69-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
299936-69-9
Multi CAS
No
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
InChI
InChI=1S/C11H14N2O/c1-3-13-10-7-5-4-6-9(10)12-11(13)8(2)14/h4-8,14H,3H2,1-2H3
InChIKey
JDTYBLPYFVFWHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.04
TPSA
38.05

LogP / Solubility

WLOGP
2.11
MLOGP
1.86
XLogP3
1.3
Consensus LogP
1.76
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
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)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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