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

C10H11FN2S — CID 573297

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccccc1CSC1=NCCN1
InChIInChI=1S/C10H11FN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKeyPREMMSUCSYLUFV-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.02
Rot. Bonds2

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

2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 573297) has the molecular formula C10H11FN2S and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID573297
Molecular FormulaC10H11FN2S
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESFc1ccccc1CSC1=NCCN1
InChIInChI=1S/C10H11FN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKeyPREMMSUCSYLUFV-UHFFFAOYSA-N
XLogP2.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 573297) is 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is Fc1ccccc1CSC1=NCCN1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is PREMMSUCSYLUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole has a molecular weight of 210.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 573297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).