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CAS 106429-52-1 1H-Benzimidazole-5-methanol,2-methyl-(9CI) molecular structure lightbox
CAS RN: 106429-52-1

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

  • Product code: SSC-008094
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 106429-52-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

106429-52-1 / (2-methyl-3H-benzimidazol-5-yl)methanol

(2-methyl-1H-benzo[d]imidazol-5-yl)methanol | (2-methyl-3H-benzimidazol-5-yl)methanol | 1H-Benzimidazole-5-methanol,2-methyl-(9CI)

Standard CAS: 106429-52-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106429-52-1
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
SMILES
CC1=NC2=C(N1)C=C(C=C2)CO
InChI
InChI=1S/C9H10N2O/c1-6-10-8-3-2-7(5-12)4-9(8)11-6/h2-4,12H,5H2,1H3,(H,10,11)
InChIKey
ZUBHEDOIBQETHF-UHFFFAOYSA-N
Synonyms
(2-methyl-1H-benzo[d]imidazol-5-yl)methanol (2-methyl-3H-benzimidazol-5-yl)methanol 1H-Benzimidazole-5-methanol,2-methyl-(9CI) MFCD09754157 2-methyl-1H-Benzimidazole-6-methanol

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
46.75
TPSA
48.91

LogP / Solubility

WLOGP
1.36
MLOGP
1.2
XLogP3
1
Consensus LogP
1.19
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.87
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.74

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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