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CAS 115087-90-6 1H-Benzimidazole-2-methanamine,5-methyl-(9CI) molecular structure lightbox
CAS RN: 115087-90-6

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

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260224 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-014817
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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 115087-90-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

115087-90-6 / (6-methyl-1H-benzimidazol-2-yl)methanamine

C-(5-Methyl-1H-benzoimidazol-2-yl)-methylamine | 1-(6-methyl-1H-benzimidazol-2-yl)methanamine | (6-methyl-1H-benzimidazol-2-yl)methanamine

Standard CAS: 115087-90-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
115087-90-6
Multi CAS
Yes
Molecular Formula
C9H11N3
Molecular Weight
161.200000
Exact Mass
161.095297
SMILES
CC1=CC2=C(C=C1)N=C(N2)CN
InChI
InChI=1S/C9H11N3/c1-6-2-3-7-8(4-6)12-9(5-10)11-7/h2-4H,5,10H2,1H3,(H,11,12)
InChIKey
DTGZSWYLXQOOPV-UHFFFAOYSA-N
Synonyms
C-(5-Methyl-1H-benzoimidazol-2-yl)-methylamine 1-(6-methyl-1H-benzimidazol-2-yl)methanamine (6-methyl-1H-benzimidazol-2-yl)methanamine 1-(5-methyl-1H-benzimidazol-2-yl)methanamine (5-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)METHANAMINE

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
48.72
TPSA
54.7

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.7
Consensus LogP
1.07
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.76

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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