1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione

C23H19F3N2OS — CID 89033385

IUPAC1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione
SMILESCc1ccc(Oc2ccc(N3C(=S)NCC3c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C23H19F3N2OS/c1-15-5-9-19(10-6-15)29-20-11-7-18(8-12-20)28-21(14-27-22(28)30)16-3-2-4-17(13-16)23(24,25)26/h2-13,21H,14H2,1H3,(H,27,30)
InChIKeyCWTPSFKKHAVGKJ-UHFFFAOYSA-N
MW428.48 g/mol
LogP6.24
Rot. Bonds4

About 1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione

1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione (PubChem CID 89033385) has the molecular formula C23H19F3N2OS and a molecular weight of 428.48 g/mol. Its IUPAC name is 1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione.

Molecular Properties

Compound Name1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione
PubChem CID89033385
Molecular FormulaC23H19F3N2OS
Molecular Weight428.48 g/mol
Exact Mass428.12
IUPAC Name1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione
SMILESCc1ccc(Oc2ccc(N3C(=S)NCC3c3cccc(C(F)(F)F)c3)cc2)cc1
InChIInChI=1S/C23H19F3N2OS/c1-15-5-9-19(10-6-15)29-20-11-7-18(8-12-20)28-21(14-27-22(28)30)16-3-2-4-17(13-16)23(24,25)26/h2-13,21H,14H2,1H3,(H,27,30)
InChIKeyCWTPSFKKHAVGKJ-UHFFFAOYSA-N
XLogP6.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.48
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetonitrile;1-[4-(4-chlorophenoxy)phenyl]-2-methylidene-5-[3-(trifluoromethyl)phenyl]imidazolidine
CID 143702816
(5S)-1-[4-(4-chlorophenoxy)phenyl]-5-(3-methylphenyl)imidazolidin-2-one
CID 71091242
ethane;3-(4-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 143702740
(3S,5R)-1-[4-(4-chlorophenoxy)phenyl]-3-prop-2-enyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 59485752
1-[2-[3-[4-(4-chlorophenoxy)phenyl]-2-methylidene-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]ethyl]piperidine
CID 89265398
1-[4-(4-chlorophenoxy)phenyl]-2-(sulfinamoylamino)-5-[3-(trifluoromethyl)phenyl]-4,5-dihydroimidazole
CID 143702874
1-[4-(4-chlorophenoxy)phenyl]-5-(3-hydroxyphenyl)imidazolidin-2-one
CID 68705132
1-(4-methylphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]aziridine
CID 59485705
3-[4-(4-chlorophenoxy)phenyl]-1-(3-nitrosopropyl)-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 143702820
2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 59486067
3-[(4S)-3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]propanamide
CID 59485935
tert-butyl 2-[[2-[3-[4-(4-chlorophenoxy)phenyl]-2-oxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetyl]amino]acetate
CID 86645369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione?
The IUPAC name of 1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione (CID 89033385) is 1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione.
What is the SMILES notation for 1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione?
The canonical SMILES for 1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione is Cc1ccc(Oc2ccc(N3C(=S)NCC3c3cccc(C(F)(F)F)c3)cc2)cc1.
What is the InChIKey of 1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione?
The InChIKey is CWTPSFKKHAVGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2OS/c1-15-5-9-19(10-6-15)29-20-11-7-18(8-12-20)28-21(14-27-22(28)30)16-3-2-4-17(13-16)23(24,25)26/h2-13,21H,14H2,1H3,(H,27,30).
What are the key properties of 1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione?
1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione has a molecular weight of 428.48 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylphenoxy)phenyl]-5-[3-(trifluoromethyl)phenyl]imidazolidine-2-thione is sourced from PubChem (CID 89033385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).