1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione

C24H20FN5S — CID 133224119

IUPAC1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione
SMILESCc1cc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2ccncc2)ccc1F
InChIInChI=1S/C24H20FN5S/c1-16-15-18(7-8-19(16)25)30-23(22(28-24(30)31)20-5-2-3-11-27-20)21-6-4-14-29(21)17-9-12-26-13-10-17/h2-15,22-23H,1H3,(H,28,31)
InChIKeyXTCXLTCIGCBUSI-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.89
Rot. Bonds4

About 1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione

1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione (PubChem CID 133224119) has the molecular formula C24H20FN5S and a molecular weight of 429.52 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione
PubChem CID133224119
Molecular FormulaC24H20FN5S
Molecular Weight429.52 g/mol
Exact Mass429.14
IUPAC Name1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione
SMILESCc1cc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2ccncc2)ccc1F
InChIInChI=1S/C24H20FN5S/c1-16-15-18(7-8-19(16)25)30-23(22(28-24(30)31)20-5-2-3-11-27-20)21-6-4-14-29(21)17-9-12-26-13-10-17/h2-15,22-23H,1H3,(H,28,31)
InChIKeyXTCXLTCIGCBUSI-UHFFFAOYSA-N
XLogP4.89
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R,5S)-1-(4-fluoro-3-methylphenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100502211
5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224216
(4S,5R)-1-(4-fluoro-3-methylphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100502165
(4R,5S)-1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100501818
1-(4-fluoro-3-methylphenyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224199
(4R,5R)-5-[1-(4-ethoxyphenyl)pyrrol-2-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100502256
(4R,5S)-1-(4-fluoro-3-methylphenyl)-5-[1-(4-nitrophenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100502399
methyl 4-[2-[(4S,5S)-3-(4-fluoro-3-methylphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]pyrrol-1-yl]benzoate
CID 100504045
(4R,5S)-1-(4-fluoro-3-methylphenyl)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100501707
N-[2-methyl-4-[(4S,5R)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100636366
1-(4-chlorophenyl)-5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182604
methyl 3-[2-[(4R,5R)-3-(4-fluoro-3-methylphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]pyrrol-1-yl]benzoate
CID 100504030

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione (CID 133224119) is 1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione is Cc1cc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2ccncc2)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione?
The InChIKey is XTCXLTCIGCBUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5S/c1-16-15-18(7-8-19(16)25)30-23(22(28-24(30)31)20-5-2-3-11-27-20)21-6-4-14-29(21)17-9-12-26-13-10-17/h2-15,22-23H,1H3,(H,28,31).
What are the key properties of 1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione?
1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione has a molecular weight of 429.52 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione is sourced from PubChem (CID 133224119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).