3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

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Basic information

CAS: 5346-28-1
Standard SMILES: Cc1ccc2nc(C(C#N)=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1
InChIKey: OSLZLEIYCNRKAF-UHFFFAOYSA-N
Molecular formula: C21H13Cl2N3O
Average molar mass: 394.2 g/mol
Monoisotopic mass: 393.0435674

Names & identifiers

Preferred name: 3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
IUPAC: 3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Names & synonyms

5346-28-13-[5-(2,5-dichlorophenyl)furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrileDTXSID804111553-[5-(2,5-Dichlorophenyl)furan-2-yl]-2-(6-methyl-1H-1,3-benzimidazol-2-yl)prop-2-enenitrile

Database identifiers

CAS: 5346-28-1
PubChem CID: 5222485
DTXSID: DTXSID80411155

Properties

Computed structural properties

XLogP: 5.7
Topological polar surface area: 65.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 618

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Compound notes

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