(4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole

C17H16F2N2S — CID 68570719

IUPAC(4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole
SMILESCSC1=N[C@H](c2cccc(F)c2)[C@](C)(c2cccc(F)c2)N1
InChIInChI=1S/C17H16F2N2S/c1-17(12-6-4-8-14(19)10-12)15(20-16(21-17)22-2)11-5-3-7-13(18)9-11/h3-10,15H,1-2H3,(H,20,21)/t15-,17+/m1/s1
InChIKeyZBKAKLCQXPOXON-WBVHZDCISA-N
MW318.39 g/mol
LogP4.24
Rot. Bonds2

About (4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole

(4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole (PubChem CID 68570719) has the molecular formula C17H16F2N2S and a molecular weight of 318.39 g/mol. Its IUPAC name is (4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name(4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole
PubChem CID68570719
Molecular FormulaC17H16F2N2S
Molecular Weight318.39 g/mol
Exact Mass318.10
IUPAC Name(4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole
SMILESCSC1=N[C@H](c2cccc(F)c2)[C@](C)(c2cccc(F)c2)N1
InChIInChI=1S/C17H16F2N2S/c1-17(12-6-4-8-14(19)10-12)15(20-16(21-17)22-2)11-5-3-7-13(18)9-11/h3-10,15H,1-2H3,(H,20,21)/t15-,17+/m1/s1
InChIKeyZBKAKLCQXPOXON-WBVHZDCISA-N
XLogP4.24
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole?
The IUPAC name of (4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole (CID 68570719) is (4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole.
What is the SMILES notation for (4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole?
The canonical SMILES for (4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole is CSC1=N[C@H](c2cccc(F)c2)[C@](C)(c2cccc(F)c2)N1.
What is the InChIKey of (4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole?
The InChIKey is ZBKAKLCQXPOXON-WBVHZDCISA-N. The full InChI is InChI=1S/C17H16F2N2S/c1-17(12-6-4-8-14(19)10-12)15(20-16(21-17)22-2)11-5-3-7-13(18)9-11/h3-10,15H,1-2H3,(H,20,21)/t15-,17+/m1/s1.
What are the key properties of (4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole?
(4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole has a molecular weight of 318.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4,5-bis(3-fluorophenyl)-5-methyl-2-methylsulfanyl-1,4-dihydroimidazole is sourced from PubChem (CID 68570719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).