1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline

HCID 3236905

Notes Reactions

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Basic information

Standard SMILES: CSC1=NCCN1C(=O)c1ccccc1F
InChIKey: AJLXZOMOYYPBTR-UHFFFAOYSA-N
Molecular formula: C11H11FN2OS
Average molar mass: 238.28 g/mol

Names & identifiers

Preferred name: 1-(2-Fluorobenzoyl)-2-methylthio-2-imidazoline
IUPAC: (2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

Names & synonyms

1-(2-fluorobenzoyl)-2-methylthio-2-imidazolineMLS000045128F0630-0031SCHEMBL9533408CHEMBL1874184AJLXZOMOYYPBTR-UHFFFAOYSA-NHMS2330I13AKOS024588420SMR000026732EU-0026178SR-01000096239SR-01000096239-1

Show more names

1-(2-fluorobenzoyl)-2-(methylthio)-4,5-dihydro-1H-imidazole1-(2-fluorobenzoyl)-2-(methylsulfanyl)-4,5-dihydro-1H-imidazole(2-fluorophenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone(2-fluorophenyl)-(2-methylsulfanyl-4,5-dihydro-1H-imidazol-1-yl)-methanone

Database identifiers

PubChem CID: 3236905
ChEMBL: CHEMBL1874184

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 58 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 308

Related reactions

10 records

New reaction record

HRID 141791As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 198014As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 804340As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1556293As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2137323As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2350852As reactantuspto-grants-1989_10

HRID 2350853As reactantuspto-grants-1989_10

HRID 2350854As reactantuspto-grants-1989_10

Compound notes

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