5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione

C24H16Br2FN3OS — CID 133182799

IUPAC5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESFc1ccc(-c2ccc(C3C(c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c(Br)c1
InChIInChI=1S/C24H16Br2FN3OS/c25-14-4-7-16(8-5-14)30-23(22(29-24(30)32)19-3-1-2-12-28-19)21-11-10-20(31-21)17-9-6-15(27)13-18(17)26/h1-13,22-23H,(H,29,32)
InChIKeyKKLKBJLYOFEOBB-UHFFFAOYSA-N
MW573.29 g/mol
LogP7.18
Rot. Bonds4

About 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182799) has the molecular formula C24H16Br2FN3OS and a molecular weight of 573.29 g/mol. Its IUPAC name is 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133182799
Molecular FormulaC24H16Br2FN3OS
Molecular Weight573.29 g/mol
Exact Mass570.94
IUPAC Name5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESFc1ccc(-c2ccc(C3C(c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c(Br)c1
InChIInChI=1S/C24H16Br2FN3OS/c25-14-4-7-16(8-5-14)30-23(22(29-24(30)32)19-3-1-2-12-28-19)21-11-10-20(31-21)17-9-6-15(27)13-18(17)26/h1-13,22-23H,(H,29,32)
InChIKeyKKLKBJLYOFEOBB-UHFFFAOYSA-N
XLogP7.18
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.29
LogP ≤ 57.18
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

5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158677
(4S,5R)-5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromo-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100509334
5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-[4-(4-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183810
N-[4-[(4R,5S)-5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100620730
5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182469
(4S,5S)-5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(3-chloro-4-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100515293
1-(4-bromophenyl)-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182786
(4R,5S)-5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100527413
5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221824
(4S,5S)-5-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-1-(4-bromo-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100509279
(4R,5S)-5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-[3-chloro-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125078498
N-[4-[5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]propanamide
CID 133242859

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133182799) is 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione is Fc1ccc(-c2ccc(C3C(c4ccccn4)NC(=S)N3c3ccc(Br)cc3)o2)c(Br)c1.
What is the InChIKey of 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is KKLKBJLYOFEOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2FN3OS/c25-14-4-7-16(8-5-14)30-23(22(29-24(30)32)19-3-1-2-12-28-19)21-11-10-20(31-21)17-9-6-15(27)13-18(17)26/h1-13,22-23H,(H,29,32).
What are the key properties of 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 573.29 g/mol, XLogP of 7.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromophenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).