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2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole structure

CAS No:
577982-31-1
Formula:
C22H18N6S
Chemical Name:
2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
Synonyms:
577982-31-1;MLS000589047;CHEMBL1412399;HMS2520O17;ZINC2335843;STK556941;AKOS002192531;MCULE-4588658128;SMR000219699;ST50085634;2-(5-Pyridin-4-yl-4-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-1H-benzoimidazole;3-(benzimidazol-2-ylmethylthio)-4-(4-methylphenyl)-5-(4-pyridyl)-1,2,4-triazol e;1H-benzimidazol-2-ylmethyl 4-(4-methylphenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide;2-(((5-(Pyridin-4-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole;2-({[4-(4-methylphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole

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2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Basic Attributes

Molecular Weight：

398.5 g/mol

Exact Mass：

398.13136577 g/mol

Characteristics

PSA：

97.6 Å²

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:398.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:398.13136577
Monoisotopic Mass:398.13136577
Topological Polar Surface Area:97.6
Heavy Atom Count:29
Complexity:521
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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