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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
115576-91-5 / (1-methylbenzimidazol-5-yl)methanol
(1-methyl-1H-benzo[d]imidazol-5-yl)methanol | (1-methylbenzimidazol-5-yl)methanol | 1H-Benzimidazole-5-methanol, 1-methyl-
Basic Information
CAS
115576-91-5
Multi CAS
No
Molecular Formula
C9H10N2O
Molecular Weight
162.190000
Exact Mass
162.079313
SMILES
CN1C=NC2=C1C=CC(=C2)CO
InChI
InChI=1S/C9H10N2O/c1-11-6-10-8-4-7(5-12)2-3-9(8)11/h2-4,6,12H,5H2,1H3
InChIKey
FNWIOHZJMSLWCF-UHFFFAOYSA-N
Synonyms
(1-methyl-1H-benzo[d]imidazol-5-yl)methanol
(1-methylbenzimidazol-5-yl)methanol
1H-Benzimidazole-5-methanol, 1-methyl-
MFCD11616105
1-Methyl-1H-Benzimidazole-5-methanol
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.64
TPSA
38.05
LogP / Solubility
WLOGP
1.07
MLOGP
0.93
XLogP3
0.6
Consensus LogP
0.87
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.66
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.72
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)
-2.95
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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