N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C16H17FIN3S — CID 15945714

IUPACN-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESFc1ccccc1Sc1ccccc1CNC1=NCCN1.I
InChIInChI=1S/C16H16FN3S.HI/c17-13-6-2-4-8-15(13)21-14-7-3-1-5-12(14)11-20-16-18-9-10-19-16;/h1-8H,9-11H2,(H2,18,19,20);1H
InChIKeyNUXLOHASUDMVPB-UHFFFAOYSA-N
MW429.30 g/mol
LogP3.64
Rot. Bonds4

About N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 15945714) has the molecular formula C16H17FIN3S and a molecular weight of 429.30 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID15945714
Molecular FormulaC16H17FIN3S
Molecular Weight429.30 g/mol
Exact Mass429.02
IUPAC NameN-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESFc1ccccc1Sc1ccccc1CNC1=NCCN1.I
InChIInChI=1S/C16H16FN3S.HI/c17-13-6-2-4-8-15(13)21-14-7-3-1-5-12(14)11-20-16-18-9-10-19-16;/h1-8H,9-11H2,(H2,18,19,20);1H
InChIKeyNUXLOHASUDMVPB-UHFFFAOYSA-N
XLogP3.64
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 15945714) is N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is Fc1ccccc1Sc1ccccc1CNC1=NCCN1.I.
What is the InChIKey of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is NUXLOHASUDMVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S.HI/c17-13-6-2-4-8-15(13)21-14-7-3-1-5-12(14)11-20-16-18-9-10-19-16;/h1-8H,9-11H2,(H2,18,19,20);1H.
What are the key properties of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 429.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 15945714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).