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CAS 102000-86-2 1-Benzimidazoleethanol,2-(hydroxymethyl)-(6CI) molecular structure lightbox
CAS RN: 102000-86-2

1-Benzimidazoleethanol,2-(hydroxymethyl)-(6CI)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250209 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS102000-86-2
  • Purity/Analytical Methods: >99.0%
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102000-86-2 / 2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol

2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol | 1-Benzimidazoleethanol,2-(hydroxymethyl)-(6CI) | Oprea1_334228

Standard CAS: 102000-86-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
102000-86-2
Multi CAS
No
Molecular Formula
C10H12N2O2
Molecular Weight
192.210000
Exact Mass
192.089878
SMILES
C1=CC=C2C(=C1)N=C(N2CCO)CO
InChI
InChI=1S/C10H12N2O2/c13-6-5-12-9-4-2-1-3-8(9)11-10(12)7-14/h1-4,13-14H,5-7H2
InChIKey
SLSAALBQLFHTMY-UHFFFAOYSA-N
Synonyms
2-[2-(hydroxymethyl)benzimidazol-1-yl]ethanol 1-Benzimidazoleethanol,2-(hydroxymethyl)-(6CI) Oprea1_334228 Oprea1_802608 SCHEMBL1520195

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
52.74
TPSA
58.28

LogP / Solubility

WLOGP
0.52
MLOGP
0.46
XLogP3
-0.2
Consensus LogP
0.26
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52

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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