(4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione

C17H14ClF3N2S — CID 58007039

IUPAC(4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione
SMILESC[C@@]1(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14ClF3N2S/c1-16(11-6-8-13(18)9-7-11)14(22-15(24)23-16)10-2-4-12(5-3-10)17(19,20)21/h2-9,14H,1H3,(H2,22,23,24)/t14-,16+/m1/s1
InChIKeyWJNJXEMSZKZWIB-ZBFHGGJFSA-N
MW370.83 g/mol
LogP4.79
Rot. Bonds2

About (4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione

(4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione (PubChem CID 58007039) has the molecular formula C17H14ClF3N2S and a molecular weight of 370.83 g/mol. Its IUPAC name is (4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione.

Molecular Properties

Compound Name(4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione
PubChem CID58007039
Molecular FormulaC17H14ClF3N2S
Molecular Weight370.83 g/mol
Exact Mass370.05
IUPAC Name(4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione
SMILESC[C@@]1(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H14ClF3N2S/c1-16(11-6-8-13(18)9-7-11)14(22-15(24)23-16)10-2-4-12(5-3-10)17(19,20)21/h2-9,14H,1H3,(H2,22,23,24)/t14-,16+/m1/s1
InChIKeyWJNJXEMSZKZWIB-ZBFHGGJFSA-N
XLogP4.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione?
The IUPAC name of (4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione (CID 58007039) is (4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione.
What is the SMILES notation for (4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione?
The canonical SMILES for (4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione is C[C@@]1(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione?
The InChIKey is WJNJXEMSZKZWIB-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H14ClF3N2S/c1-16(11-6-8-13(18)9-7-11)14(22-15(24)23-16)10-2-4-12(5-3-10)17(19,20)21/h2-9,14H,1H3,(H2,22,23,24)/t14-,16+/m1/s1.
What are the key properties of (4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione?
(4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione has a molecular weight of 370.83 g/mol, XLogP of 4.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(4-chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]imidazolidine-2-thione is sourced from PubChem (CID 58007039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).