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

C16H14F2N2S — CID 68570223

IUPAC(4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCSC1=N[C@@H](c2cccc(F)c2)[C@@H](c2cccc(F)c2)N1
InChIInChI=1S/C16H14F2N2S/c1-21-16-19-14(10-4-2-6-12(17)8-10)15(20-16)11-5-3-7-13(18)9-11/h2-9,14-15H,1H3,(H,19,20)/t14-,15+
InChIKeyUUPSXTNINKUUIK-GASCZTMLSA-N
MW304.37 g/mol
LogP4.07
Rot. Bonds2

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

(4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole (PubChem CID 68570223) has the molecular formula C16H14F2N2S and a molecular weight of 304.37 g/mol. Its IUPAC name is (4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
PubChem CID68570223
Molecular FormulaC16H14F2N2S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name(4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCSC1=N[C@@H](c2cccc(F)c2)[C@@H](c2cccc(F)c2)N1
InChIInChI=1S/C16H14F2N2S/c1-21-16-19-14(10-4-2-6-12(17)8-10)15(20-16)11-5-3-7-13(18)9-11/h2-9,14-15H,1H3,(H,19,20)/t14-,15+
InChIKeyUUPSXTNINKUUIK-GASCZTMLSA-N
XLogP4.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole (CID 68570223) is (4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole is CSC1=N[C@@H](c2cccc(F)c2)[C@@H](c2cccc(F)c2)N1.
What is the InChIKey of (4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The InChIKey is UUPSXTNINKUUIK-GASCZTMLSA-N. The full InChI is InChI=1S/C16H14F2N2S/c1-21-16-19-14(10-4-2-6-12(17)8-10)15(20-16)11-5-3-7-13(18)9-11/h2-9,14-15H,1H3,(H,19,20)/t14-,15+.
What are the key properties of (4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
(4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole has a molecular weight of 304.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-bis(3-fluorophenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68570223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).