isoquinoline-3-carboxylic acid [5-ethylsulfanyl-7-(1H-imidazol-2-ylcarbamoyl)-1H-benzoimidazol-2-yl]-amide

HCID 178477290
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Basic information

Standard SMILES
CCSc1cc(C(=O)Nc2ncc[nH]2)c2[nH]c(NC(=O)c3cc4ccccc4cn3)nc2c1
InChIKey
DHODNQFMQPAMGM-UHFFFAOYSA-N
Molecular formula
C23H19N7O2S
Average molar mass
457.5 g/mol
Monoisotopic mass
457.13209405

Names & identifiers

Preferred name
isoquinoline-3-carboxylic acid [5-ethylsulfanyl-7-(1H-imidazol-2-ylcarbamoyl)-1H-benzoimidazol-2-yl]-amide
IUPAC
N-[6-ethylsulfanyl-4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]isoquinoline-3-carboxamide

Names & synonyms

SCHEMBL1201748DHODNQFMQPAMGM-UHFFFAOYSA-Nisoquinoline-3-carboxylic acid [5-ethylsulfanyl-7-(1H-imidazol-2-ylcarbamoyl)-1H-benzoimidazol-2-yl]-amide

Database identifiers

PubChem CID
58026366

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
154 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
33

Related reactions

4 records
New reaction record

Compound notes

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