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N-methyl-1-(3-thien-2-ylphenyl)-1H-benzimidazole-5-carboxamide

HCID 11638545
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CNC(=O)c1ccc2c(c1)ncn2-c1cccc(-c2cccs2)c1
InChIKey
HPDLWOULQOAJNZ-UHFFFAOYSA-N
Molecular formula
C19H15N3OS
Average molar mass
333.4 g/mol
Monoisotopic mass
333.09358328

Names & identifiers

Preferred name
N-methyl-1-(3-thien-2-ylphenyl)-1H-benzimidazole-5-carboxamide
IUPAC
N-methyl-1-(3-thiophen-2-ylphenyl)benzimidazole-5-carboxamide

Names & synonyms

SCHEMBL2337472HPDLWOULQOAJNZ-UHFFFAOYSA-NN-methyl-1-(3-thien-2-ylphenyl)-1H-benzimidazole-5-carboxamide

Database identifiers

PubChem CID
11638545

Properties

Computed structural propertiesFilling in

XLogP
3.7
Topological polar surface area
75.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
460

Related reactions

2 records
New reaction record
HRID 28667 reaction equation
HRID 28667As productuspto-grants-2008_09
HRID 2311880 reaction equation
HRID 2311880As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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