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

C16H16FN3S — CID 826625

IUPACN-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccc(Sc2ccccc2CNC2=NCCN2)cc1
InChIInChI=1S/C16H16FN3S/c17-13-5-7-14(8-6-13)21-15-4-2-1-3-12(15)11-20-16-18-9-10-19-16/h1-8H,9-11H2,(H2,18,19,20)
InChIKeyWOOOTZOPDGUAGF-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.03
Rot. Bonds4

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

N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 826625) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID826625
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC NameN-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccc(Sc2ccccc2CNC2=NCCN2)cc1
InChIInChI=1S/C16H16FN3S/c17-13-5-7-14(8-6-13)21-15-4-2-1-3-12(15)11-20-16-18-9-10-19-16/h1-8H,9-11H2,(H2,18,19,20)
InChIKeyWOOOTZOPDGUAGF-UHFFFAOYSA-N
XLogP3.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 826625) is N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1ccc(Sc2ccccc2CNC2=NCCN2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is WOOOTZOPDGUAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c17-13-5-7-14(8-6-13)21-15-4-2-1-3-12(15)11-20-16-18-9-10-19-16/h1-8H,9-11H2,(H2,18,19,20).
What are the key properties of N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 301.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 826625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).