5-(1-Benzyl-1H-pyrazol-3-ylamino)-2-(4-methyl-imidazol-1-yl)-benzonitrile

HCID 46216092
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Basic information

Standard SMILES
Cc1cn(-c2ccc(Nc3ccn(Cc4ccccc4)n3)cc2C#N)cn1
InChIKey
NWMVLRGBKQAUGX-UHFFFAOYSA-N
Molecular formula
C21H18N6
Average molar mass
354.4 g/mol

Names & identifiers

Preferred name
5-(1-Benzyl-1H-pyrazol-3-ylamino)-2-(4-methyl-imidazol-1-yl)-benzonitrile
IUPAC
5-[(1-benzylpyrazol-3-yl)amino]-2-(4-methylimidazol-1-yl)benzonitrile

Names & synonyms

SCHEMBL2359531NWMVLRGBKQAUGX-UHFFFAOYSA-N5-(1-Benzyl-1H-pyrazol-3-ylamino)-2-(4-methyl-imidazol-1-yl)-benzonitrile

Database identifiers

PubChem CID
46216092

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
71.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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