1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione

C25H18F4N4S — CID 133182264

IUPAC1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione
SMILESFc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C25H18F4N4S/c26-17-9-11-18(12-10-17)33-23(22(31-24(33)34)20-7-1-2-13-30-20)21-8-4-14-32(21)19-6-3-5-16(15-19)25(27,28)29/h1-15,22-23H,(H,31,34)
InChIKeyRJQRIKVUANEJSY-UHFFFAOYSA-N
MW482.51 g/mol
LogP6.21
Rot. Bonds4

About 1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione

1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione (PubChem CID 133182264) has the molecular formula C25H18F4N4S and a molecular weight of 482.51 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione
PubChem CID133182264
Molecular FormulaC25H18F4N4S
Molecular Weight482.51 g/mol
Exact Mass482.12
IUPAC Name1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione
SMILESFc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C25H18F4N4S/c26-17-9-11-18(12-10-17)33-23(22(31-24(33)34)20-7-1-2-13-30-20)21-8-4-14-32(21)19-6-3-5-16(15-19)25(27,28)29/h1-15,22-23H,(H,31,34)
InChIKeyRJQRIKVUANEJSY-UHFFFAOYSA-N
XLogP6.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethylphenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione
CID 133158235
(4S,5R)-1-(4-fluorophenyl)-5-(1-phenylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 99897450
1-(2-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione
CID 133182432
1-(4-fluorophenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182272
N-[2-methoxy-4-[(4R,5R)-4-pyridin-2-yl-2-sulfanylidene-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidin-1-yl]phenyl]methanesulfonamide
CID 100630532
1-(4-methylphenyl)-5-(1-phenylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157895
1-(4-hydroxyphenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156385
2-methoxy-N-[2-methyl-4-[(4R,5S)-4-pyridin-2-yl-2-sulfanylidene-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidin-1-yl]phenyl]acetamide
CID 100582405
N-(4-fluorophenyl)-3-[(4S,5R)-4-pyridin-2-yl-2-sulfanylidene-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidin-1-yl]propanamide
CID 100691699
(4S,5R)-1-(4-bromo-3-methylphenyl)-5-[1-(3-fluorophenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100508071
(4S,5S)-1-(3-chloro-4-methoxyphenyl)-5-[1-(4-fluorophenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100514125
1-(3,5-dimethylphenyl)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133162526

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione?
The IUPAC name of 1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione (CID 133182264) is 1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione.
What is the SMILES notation for 1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione?
The canonical SMILES for 1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione is Fc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione?
The InChIKey is RJQRIKVUANEJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F4N4S/c26-17-9-11-18(12-10-17)33-23(22(31-24(33)34)20-7-1-2-13-30-20)21-8-4-14-32(21)19-6-3-5-16(15-19)25(27,28)29/h1-15,22-23H,(H,31,34).
What are the key properties of 1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione?
1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione has a molecular weight of 482.51 g/mol, XLogP of 6.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-pyridin-2-yl-5-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]imidazolidine-2-thione is sourced from PubChem (CID 133182264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).