(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C25H18BrCl2N3OS — CID 100509108

IUPAC(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Br
InChIInChI=1S/C25H18BrCl2N3OS/c1-14-12-16(6-8-18(14)26)31-24(23(30-25(31)33)20-4-2-3-11-29-20)22-10-9-21(32-22)17-7-5-15(27)13-19(17)28/h2-13,23-24H,1H3,(H,30,33)/t23-,24-/m0/s1
InChIKeyKEVPUECIKSRWRV-ZEQRLZLVSA-N
MW559.32 g/mol
LogP7.90
Rot. Bonds4

About (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 100509108) has the molecular formula C25H18BrCl2N3OS and a molecular weight of 559.32 g/mol. Its IUPAC name is (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID100509108
Molecular FormulaC25H18BrCl2N3OS
Molecular Weight559.32 g/mol
Exact Mass556.97
IUPAC Name(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Br
InChIInChI=1S/C25H18BrCl2N3OS/c1-14-12-16(6-8-18(14)26)31-24(23(30-25(31)33)20-4-2-3-11-29-20)22-10-9-21(32-22)17-7-5-15(27)13-19(17)28/h2-13,23-24H,1H3,(H,30,33)/t23-,24-/m0/s1
InChIKeyKEVPUECIKSRWRV-ZEQRLZLVSA-N
XLogP7.90
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.32
LogP ≤ 57.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(3-chloro-2-methylphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100509218
5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(3,5-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158503
(4S,5S)-5-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-1-(4-bromo-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100509279
(4S,5R)-5-[5-(2-bromo-4-fluorophenyl)furan-2-yl]-1-(4-bromo-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100509334
(4S,5S)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100602172
5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(4-ethoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156241
2-[5-[(4S,5R)-3-(4-bromo-3-methylphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]furan-2-yl]benzoic acid
CID 100508980
N-[4-[(4S,5R)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]-2-methoxyacetamide
CID 100583492
N-[2-chloro-4-[(4R,5S)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methylpropanamide
CID 100552166
5-[5-(2,4-dichlorophenyl)furan-2-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182463
5-[5-(2,3-dichlorophenyl)furan-2-yl]-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158267
1-(4-bromo-3-methylphenyl)-5-[5-(4-ethoxyphenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224392

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 100509108) is (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Br.
What is the InChIKey of (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is KEVPUECIKSRWRV-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H18BrCl2N3OS/c1-14-12-16(6-8-18(14)26)31-24(23(30-25(31)33)20-4-2-3-11-29-20)22-10-9-21(32-22)17-7-5-15(27)13-19(17)28/h2-13,23-24H,1H3,(H,30,33)/t23-,24-/m0/s1.
What are the key properties of (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
(4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 559.32 g/mol, XLogP of 7.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-(4-bromo-3-methylphenyl)-5-[5-(2,4-dichlorophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 100509108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).