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CAS 933698-33-0 1H-BENZIMIDAZOLE-2-METHANAMINE, A,7-DIMETHYL- molecular structure lightbox
CAS RN: 933698-33-0

1H-BENZIMIDAZOLE-2-METHANAMINE, A,7-DIMETHYL-

  • Product code: SSC-207402
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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 933698-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Beijing Inquiry

933698-33-0 / 1-(4-methyl-1H-benzimidazol-2-yl)ethanamine

Standard CAS: 933698-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
933698-33-0
Multi CAS
No
Molecular Formula
C10H13N3
Molecular Weight
175.230000
Exact Mass
175.110947
InChI
InChI=1S/C10H13N3/c1-6-4-3-5-8-9(6)13-10(12-8)7(2)11/h3-5,7H,11H2,1-2H3,(H,12,13)
InChIKey
NAONXKPGABABEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.43
TPSA
54.7

LogP / Solubility

WLOGP
1.89
MLOGP
1.66
XLogP3
1.1
Consensus LogP
1.55
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.45

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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