4-[(1-Cyclopentyl-2-methyl-1H-imidazol-4-yl)ethynyl]-2-methylpyridine

HCID 69290887

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Basic information

CAS: 824431-90-5
Standard SMILES: Cc1cc(C#Cc2cn(C3CCCC3)c(C)n2)ccn1
InChIKey: UFAQSDQVHLWGPY-UHFFFAOYSA-N
Molecular formula: C17H19N3
Average molar mass: 265.35 g/mol
Monoisotopic mass: 265.15789761

Names & identifiers

Preferred name: 4-[(1-Cyclopentyl-2-methyl-1H-imidazol-4-yl)ethynyl]-2-methylpyridine
IUPAC: 4-[2-(1-cyclopentyl-2-methylimidazol-4-yl)ethynyl]-2-methylpyridine

Names & synonyms

824431-90-5SCHEMBL5042486DTXSID70740183UFAQSDQVHLWGPY-UHFFFAOYSA-N4-[(1-Cyclopentyl-2-methyl-1H-imidazol-4-yl)ethynyl]-2-methylpyridine4-(1-Cyclopentyl-2-methyl-1H-imidazol-4-ylethynyl)-2-methyl-pyridine

Database identifiers

CAS: 824431-90-5
PubChem CID: 69290887
DTXSID: DTXSID70740183

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 30.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 388

Related reactions

2 records

New reaction record

HRID 8879As productuspto-grants-2006_08

HRID 1550521As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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