(4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

C22H19FN2S — CID 59655518

IUPAC(4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1
InChIInChI=1S/C22H19FN2S/c23-19-13-7-8-16(14-19)15-26-22-24-20(17-9-3-1-4-10-17)21(25-22)18-11-5-2-6-12-18/h1-14,20-21H,15H2,(H,24,25)/t20-,21+
InChIKeyRCJWGNZTUJJKRY-OYRHEFFESA-N
MW362.47 g/mol
LogP5.50
Rot. Bonds4

About (4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole

(4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (PubChem CID 59655518) has the molecular formula C22H19FN2S and a molecular weight of 362.47 g/mol. Its IUPAC name is (4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
PubChem CID59655518
Molecular FormulaC22H19FN2S
Molecular Weight362.47 g/mol
Exact Mass362.13
IUPAC Name(4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
SMILESFc1cccc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1
InChIInChI=1S/C22H19FN2S/c23-19-13-7-8-16(14-19)15-26-22-24-20(17-9-3-1-4-10-17)21(25-22)18-11-5-2-6-12-18/h1-14,20-21H,15H2,(H,24,25)/t20-,21+
InChIKeyRCJWGNZTUJJKRY-OYRHEFFESA-N
XLogP5.50
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole (CID 59655518) is (4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is Fc1cccc(CSC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)c1.
What is the InChIKey of (4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
The InChIKey is RCJWGNZTUJJKRY-OYRHEFFESA-N. The full InChI is InChI=1S/C22H19FN2S/c23-19-13-7-8-16(14-19)15-26-22-24-20(17-9-3-1-4-10-17)21(25-22)18-11-5-2-6-12-18/h1-14,20-21H,15H2,(H,24,25)/t20-,21+.
What are the key properties of (4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole?
(4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole has a molecular weight of 362.47 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59655518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).