4-[1-(4-Fluoro-phenyl)-2-methyl-1H-imidazol-4-ylethynyl]-2-methyl-pyridine

HCID 10085660

Notes Reactions

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Basic information

CAS: 761426-66-8
Standard SMILES: Cc1cc(C#Cc2cn(-c3ccc(F)cc3)c(C)n2)ccn1
InChIKey: SAXJBNCVBXKLBA-UHFFFAOYSA-N
Molecular formula: C18H14FN3
Average molar mass: 291.3 g/mol
Monoisotopic mass: 291.11717562

Names & identifiers

Preferred name: 4-[1-(4-Fluoro-phenyl)-2-methyl-1H-imidazol-4-ylethynyl]-2-methyl-pyridine
IUPAC: 4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine

Names & synonyms

CHEMBL1946770SCHEMBL4630148SAXJBNCVBXKLBA-UHFFFAOYSA-NDTXSID201141647BDBM500713724-[1-(4-Fluoro-phenyl)-2-methyl-1H-imidazol-4-ylethynyl]-2-methyl-pyridine761426-66-84-[2-[1-(4-Fluorophenyl)-2-methyl-1H-imidazol-4-yl]ethynyl]-2-methylpyridine4-{[1-(4-Fluorophenyl)-2-methyl-1H-imidazol-4-yl]ethynyl}-2-methylpyridine

Database identifiers

CAS: 761426-66-8
PubChem CID: 10085660
DTXSID: DTXSID201141647
ChEMBL: CHEMBL1946770

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 432

Related reactions

8 records

New reaction record

HRID 860150As productuspto-grants-2006_12

HRID 860151As productuspto-grants-2006_12

HRID 860161As reactantuspto-grants-2006_12

HRID 860162As reactantuspto-grants-2006_12

HRID 949263As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1231698As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2141991As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2349400As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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