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CAS 103748-25-0 1H-Benzimidazol-2-amine,5-chloro-1-methyl-(9CI) molecular structure lightbox
CAS RN: 103748-25-0

1H-Benzimidazol-2-amine,5-chloro-1-methyl-(9CI)

  • Product code: SSC-005358
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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: 0.25g, 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 103748-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

103748-25-0 / 5-chloro-1-methylbenzimidazol-2-amine

5-chloro-1-methyl-1H-1,3-benzodiazol-2-amine | RefChem:534279 | 830-051-1

Standard CAS: 103748-25-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103748-25-0
Multi CAS
No
Molecular Formula
C8H8ClN3
Molecular Weight
181.620000
Exact Mass
181.040675
SMILES
CN1C2=C(C=C(C=C2)Cl)N=C1N
InChI
InChI=1S/C8H8ClN3/c1-12-7-3-2-5(9)4-6(7)11-8(12)10/h2-4H,1H3,(H2,10,11)
InChIKey
QZDYOBDSZXQLIW-UHFFFAOYSA-N
Synonyms
5-chloro-1-methyl-1H-1,3-benzodiazol-2-amine RefChem:534279 830-051-1 5-Chloro-1-methyl-1H-benzimidazol-2-amine 1H-Benzimidazol-2-amine,5-chloro-1-methyl-(9CI)

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.14
TPSA
43.84

LogP / Solubility

WLOGP
1.81
MLOGP
1.59
XLogP3
2.1
Consensus LogP
1.83
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
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)
-2.54

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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