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CAS 102791-87-7 4-(4-Methyl-1H-imidazol-1-yl)benzenamine molecular structure lightbox
CAS RN: 102791-87-7

4-(4-Methyl-1H-imidazol-1-yl)benzenamine

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250704 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250502 100mg In stock Shanghai Inquiry
Batchno.20260311 1g In stock Shanghai Inquiry
Batchno.20250416 250mg In stock Shanghai Inquiry
  • Product code: SSC-004143
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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 102791-87-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

102791-87-7 / 4-(4-methylimidazol-1-yl)aniline

4-(4-Methyl-1h-imidazol-1-yl)benzenamine | 4-(4-methyl-1H-imidazol-1-yl)aniline | 4-(4-methylimidazol-1-yl)aniline

Standard CAS: 102791-87-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102791-87-7
Multi CAS
Yes
Molecular Formula
C10H11N3
Molecular Weight
173.210000
Exact Mass
173.095297
SMILES
CC1=CN(C=N1)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3/c1-8-6-13(7-12-8)10-4-2-9(11)3-5-10/h2-7H,11H2,1H3
InChIKey
PJUPTRYCQKQLCI-UHFFFAOYSA-N
Synonyms
4-(4-Methyl-1h-imidazol-1-yl)benzenamine 4-(4-methyl-1H-imidazol-1-yl)aniline 4-(4-methylimidazol-1-yl)aniline MFCD09834629 Benzenamine, 4-(4-methyl-1H-imidazol-1-yl)-

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.71
TPSA
43.84

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.4
Consensus LogP
1.57
Log S (ESOL)
-2.58
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.52

Drug-likeness / Medicinal Chemistry

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

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