2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

C10H10BrFN2S — CID 17479140

IUPAC2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc(CSC2=NCCN2)c(Br)c1
InChIInChI=1S/C10H10BrFN2S/c11-9-5-8(12)2-1-7(9)6-15-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyYAOGOOPDXPQEFT-UHFFFAOYSA-N
MW289.17 g/mol
LogP2.78
Rot. Bonds2

About 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 17479140) has the molecular formula C10H10BrFN2S and a molecular weight of 289.17 g/mol. Its IUPAC name is 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID17479140
Molecular FormulaC10H10BrFN2S
Molecular Weight289.17 g/mol
Exact Mass287.97
IUPAC Name2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccc(CSC2=NCCN2)c(Br)c1
InChIInChI=1S/C10H10BrFN2S/c11-9-5-8(12)2-1-7(9)6-15-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H,13,14)
InChIKeyYAOGOOPDXPQEFT-UHFFFAOYSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 17479140) is 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is Fc1ccc(CSC2=NCCN2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is YAOGOOPDXPQEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2S/c11-9-5-8(12)2-1-7(9)6-15-10-13-3-4-14-10/h1-2,5H,3-4,6H2,(H,13,14).
What are the key properties of 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole has a molecular weight of 289.17 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 17479140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).