2-(2-fluorophenyl)sulfanylimidazol-1-amine

C9H8FN3S — CID 58076142

IUPAC2-(2-fluorophenyl)sulfanylimidazol-1-amine
SMILESNn1ccnc1Sc1ccccc1F
InChIInChI=1S/C9H8FN3S/c10-7-3-1-2-4-8(7)14-9-12-5-6-13(9)11/h1-6H,11H2
InChIKeyBDXFXINVVIJLHO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.89
Rot. Bonds2

About 2-(2-fluorophenyl)sulfanylimidazol-1-amine

2-(2-fluorophenyl)sulfanylimidazol-1-amine (PubChem CID 58076142) has the molecular formula C9H8FN3S and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfanylimidazol-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfanylimidazol-1-amine
PubChem CID58076142
Molecular FormulaC9H8FN3S
Molecular Weight209.25 g/mol
Exact Mass209.04
IUPAC Name2-(2-fluorophenyl)sulfanylimidazol-1-amine
SMILESNn1ccnc1Sc1ccccc1F
InChIInChI=1S/C9H8FN3S/c10-7-3-1-2-4-8(7)14-9-12-5-6-13(9)11/h1-6H,11H2
InChIKeyBDXFXINVVIJLHO-UHFFFAOYSA-N
XLogP1.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfanylimidazol-1-amine?
The IUPAC name of 2-(2-fluorophenyl)sulfanylimidazol-1-amine (CID 58076142) is 2-(2-fluorophenyl)sulfanylimidazol-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfanylimidazol-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)sulfanylimidazol-1-amine is Nn1ccnc1Sc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)sulfanylimidazol-1-amine?
The InChIKey is BDXFXINVVIJLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3S/c10-7-3-1-2-4-8(7)14-9-12-5-6-13(9)11/h1-6H,11H2.
What are the key properties of 2-(2-fluorophenyl)sulfanylimidazol-1-amine?
2-(2-fluorophenyl)sulfanylimidazol-1-amine has a molecular weight of 209.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfanylimidazol-1-amine is sourced from PubChem (CID 58076142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).