(4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione

C27H27BrN4S — CID 125079372

IUPAC(4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
SMILESCC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21
InChIInChI=1S/C27H27BrN4S/c1-17-16-27(2,3)31(4)23-13-8-18(15-21(17)23)25-24(22-7-5-6-14-29-22)30-26(33)32(25)20-11-9-19(28)10-12-20/h5-16,24-25H,1-4H3,(H,30,33)/t24-,25+/m0/s1
InChIKeyMUEDWGGWYQCFCU-LOSJGSFVSA-N
MW519.51 g/mol
LogP6.65
Rot. Bonds3

About (4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione

(4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (PubChem CID 125079372) has the molecular formula C27H27BrN4S and a molecular weight of 519.51 g/mol. Its IUPAC name is (4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name(4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
PubChem CID125079372
Molecular FormulaC27H27BrN4S
Molecular Weight519.51 g/mol
Exact Mass518.11
IUPAC Name(4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
SMILESCC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21
InChIInChI=1S/C27H27BrN4S/c1-17-16-27(2,3)31(4)23-13-8-18(15-21(17)23)25-24(22-7-5-6-14-29-22)30-26(33)32(25)20-11-9-19(28)10-12-20/h5-16,24-25H,1-4H3,(H,30,33)/t24-,25+/m0/s1
InChIKeyMUEDWGGWYQCFCU-LOSJGSFVSA-N
XLogP6.65
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.51
LogP ≤ 56.65
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

(4R,5S)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125079369
1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 133157654
1-[4-(dimethylamino)phenyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 133156456
(4S,5R)-1-(4-ethoxyphenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125079798
1-methyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 133221337
(4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125078924
(4R,5S)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-phenyl-4-pyridin-2-ylimidazolidine-2-thione
CID 125080629
(4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125080594
(4R,5S)-1-(4-bromo-3-methylphenyl)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100504909
(4R,5S)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125079407
(4R,5R)-1-(furan-2-ylmethyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125080278
1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 133181201

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?
The IUPAC name of (4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (CID 125079372) is (4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.
What is the SMILES notation for (4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?
The canonical SMILES for (4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Br)cc3)cc21.
What is the InChIKey of (4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?
The InChIKey is MUEDWGGWYQCFCU-LOSJGSFVSA-N. The full InChI is InChI=1S/C27H27BrN4S/c1-17-16-27(2,3)31(4)23-13-8-18(15-21(17)23)25-24(22-7-5-6-14-29-22)30-26(33)32(25)20-11-9-19(28)10-12-20/h5-16,24-25H,1-4H3,(H,30,33)/t24-,25+/m0/s1.
What are the key properties of (4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?
(4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione has a molecular weight of 519.51 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is sourced from PubChem (CID 125079372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).