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

C16H16FN3S — CID 826627

IUPACN-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccccc1Sc1ccccc1CNC1=NCCN1
InChIInChI=1S/C16H16FN3S/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)
InChIKeyACDQXIPSEPODOU-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.03
Rot. Bonds4

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

N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 826627) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID826627
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC NameN-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFc1ccccc1Sc1ccccc1CNC1=NCCN1
InChIInChI=1S/C16H16FN3S/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)
InChIKeyACDQXIPSEPODOU-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-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 826627) is N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine is Fc1ccccc1Sc1ccccc1CNC1=NCCN1.
What is the InChIKey of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is ACDQXIPSEPODOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/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).
What are the key properties of N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[[2-(2-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-(2-fluorophenyl)sulfanylphenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 826627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).