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CAS 101018-70-6 1H-BenziMidazol-5-ol, 4-[(diMethylaMino)Methyl]-2-Methyl- molecular structure lightbox
CAS RN: 101018-70-6

1H-BenziMidazol-5-ol, 4-[(diMethylaMino)Methyl]-2-Methyl-

  • Product code: SSC-001879
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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: 5g
  • 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 101018-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

101018-70-6 / 4-[(dimethylamino)methyl]-2-methyl-1H-benzimidazol-5-ol

4-((Dimethylamino)methyl)-2-methyl-1H-benzo[d]imidazol-5-ol | MFCD01089838 | 2-methyl-4-(dimethylaminomethyl)-5-hydroxybenzimidazole

Standard CAS: 101018-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
101018-70-6
Multi CAS
No
Molecular Formula
C11H15N3O
Molecular Weight
205.260000
Exact Mass
205.121512
SMILES
CC1=NC2=C(N1)C=CC(=C2CN(C)C)O
InChI
InChI=1S/C11H15N3O/c1-7-12-9-4-5-10(15)8(6-14(2)3)11(9)13-7/h4-5,15H,6H2,1-3H3,(H,12,13)
InChIKey
KOXFMYCKLMXBLJ-UHFFFAOYSA-N
Synonyms
4-((Dimethylamino)methyl)-2-methyl-1H-benzo[d]imidazol-5-ol MFCD01089838 2-methyl-4-(dimethylaminomethyl)-5-hydroxybenzimidazole 4-[(dimethylamino)methyl]-2-methyl-1H-benzimidazol-5-ol 1H-Benzimidazol-6-ol, 7-[(dimethylamino)methyl]-2-methyl-

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
59.89
TPSA
52.15

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.4
Consensus LogP
1.49
Log S (ESOL)
-2.46
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
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)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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