2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole

C17H18N2S — CID 11199593

IUPAC2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Sc1ccccc1-c1ccccc1)C1=NCCN1
InChIInChI=1S/C17H18N2S/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)
InChIKeyFYBWLLAUJOWVGO-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.84
Rot. Bonds4

About 2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole

2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole (PubChem CID 11199593) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole
PubChem CID11199593
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole
SMILESCC(Sc1ccccc1-c1ccccc1)C1=NCCN1
InChIInChI=1S/C17H18N2S/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19)
InChIKeyFYBWLLAUJOWVGO-UHFFFAOYSA-N
XLogP3.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole (CID 11199593) is 2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole is CC(Sc1ccccc1-c1ccccc1)C1=NCCN1.
What is the InChIKey of 2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is FYBWLLAUJOWVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole?
2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 282.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylphenyl)sulfanylethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11199593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).