2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole

C10H9FN2S — CID 175985853

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole
SMILESFc1ccccc1CSC1=NCC=N1
InChIInChI=1S/C10H9FN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-5H,6-7H2
InChIKeyDJNLDTLNESTBGS-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.50
Rot. Bonds2

About 2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole

2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole (PubChem CID 175985853) has the molecular formula C10H9FN2S and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole
PubChem CID175985853
Molecular FormulaC10H9FN2S
Molecular Weight208.26 g/mol
Exact Mass208.05
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole
SMILESFc1ccccc1CSC1=NCC=N1
InChIInChI=1S/C10H9FN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-5H,6-7H2
InChIKeyDJNLDTLNESTBGS-UHFFFAOYSA-N
XLogP2.50
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole (CID 175985853) is 2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole is Fc1ccccc1CSC1=NCC=N1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole?
The InChIKey is DJNLDTLNESTBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S/c11-9-4-2-1-3-8(9)7-14-10-12-5-6-13-10/h1-5H,6-7H2.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole?
2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole has a molecular weight of 208.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-4H-imidazole is sourced from PubChem (CID 175985853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).