4-[2-(2-Pyrrolidin-1-yl-ethyl)-benzofuran-5-yl]-benzonitrile

HCID 10087134

Notes Reactions

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Basic information

CAS: 460746-50-3
Standard SMILES: N#Cc1ccc(-c2ccc3oc(CCN4CCCC4)cc3c2)cc1
InChIKey: NAQIDFISILZVAV-UHFFFAOYSA-N
Molecular formula: C21H20N2O
Average molar mass: 316.4 g/mol
Monoisotopic mass: 316.15756327

Names & identifiers

Preferred name: 4-[2-(2-Pyrrolidin-1-yl-ethyl)-benzofuran-5-yl]-benzonitrile
IUPAC: 4-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrile

Names & synonyms

CHEMBL439645460746-50-3SCHEMBL2785064DTXSID10435460NAQIDFISILZVAV-UHFFFAOYSA-N4-[2-(2-Pyrrolidin-1-yl-ethyl)-benzofuran-5-yl]-benzonitrile4-[2-(2-pyrrolidin-1-ylethyl)-1-benzofuran-5-yl]benzonitrileBDBM501393774-{2-[2-(1-pyrrolidinyl)ethyl]-1-benzofuran-5-yl}benzonitrile4-{2-[2-(PYRROLIDIN-1-YL)ETHYL]-1-BENZOFURAN-5-YL}BENZONITRILE

Database identifiers

CAS: 460746-50-3
PubChem CID: 10087134
DTXSID: DTXSID10435460
ChEMBL: CHEMBL439645

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 40.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 24
Formal charge: 0
Complexity: 456

Related reactions

3 records

New reaction record

HRID 306666As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 494761As productuspto-grants-2009_05

HRID 1064655As productuspto-grants-2005_11

Compound notes

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