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

C18H20N2S — CID 68569177

IUPAC(4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCSC1=N[C@@H](c2cccc(C)c2)[C@@H](c2cccc(C)c2)N1
InChIInChI=1S/C18H20N2S/c1-12-6-4-8-14(10-12)16-17(20-18(19-16)21-3)15-9-5-7-13(2)11-15/h4-11,16-17H,1-3H3,(H,19,20)/t16-,17+
InChIKeyZEDPJUXERYXGRA-CALCHBBNSA-N
MW296.44 g/mol
LogP4.41
Rot. Bonds2

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

(4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole (PubChem CID 68569177) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
PubChem CID68569177
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC Name(4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole
SMILESCSC1=N[C@@H](c2cccc(C)c2)[C@@H](c2cccc(C)c2)N1
InChIInChI=1S/C18H20N2S/c1-12-6-4-8-14(10-12)16-17(20-18(19-16)21-3)15-9-5-7-13(2)11-15/h4-11,16-17H,1-3H3,(H,19,20)/t16-,17+
InChIKeyZEDPJUXERYXGRA-CALCHBBNSA-N
XLogP4.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 54.41
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-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The IUPAC name of (4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole (CID 68569177) is (4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for (4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole is CSC1=N[C@@H](c2cccc(C)c2)[C@@H](c2cccc(C)c2)N1.
What is the InChIKey of (4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
The InChIKey is ZEDPJUXERYXGRA-CALCHBBNSA-N. The full InChI is InChI=1S/C18H20N2S/c1-12-6-4-8-14(10-12)16-17(20-18(19-16)21-3)15-9-5-7-13(2)11-15/h4-11,16-17H,1-3H3,(H,19,20)/t16-,17+.
What are the key properties of (4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole?
(4S,5R)-4,5-bis(3-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole has a molecular weight of 296.44 g/mol, XLogP of 4.41, 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-methylphenyl)-2-methylsulfanyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 68569177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).