(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione

C25H32ClN5S — CID 125080286

IUPAC(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21
InChIInChI=1S/C25H32ClN5S/c1-16-15-25(2,3)30(6)21-14-19(26)18(13-17(16)21)23-22(20-9-7-8-10-27-20)28-24(32)31(23)12-11-29(4)5/h7-10,13-15,22-23H,11-12H2,1-6H3,(H,28,32)/t22-,23+/m0/s1
InChIKeyRDILUQOAZKOMTE-XZOQPEGZSA-N
MW470.09 g/mol
LogP4.90
Rot. Bonds5

About (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione

(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 125080286) has the molecular formula C25H32ClN5S and a molecular weight of 470.09 g/mol. Its IUPAC name is (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID125080286
Molecular FormulaC25H32ClN5S
Molecular Weight470.09 g/mol
Exact Mass469.21
IUPAC Name(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21
InChIInChI=1S/C25H32ClN5S/c1-16-15-25(2,3)30(6)21-14-19(26)18(13-17(16)21)23-22(20-9-7-8-10-27-20)28-24(32)31(23)12-11-29(4)5/h7-10,13-15,22-23H,11-12H2,1-6H3,(H,28,32)/t22-,23+/m0/s1
InChIKeyRDILUQOAZKOMTE-XZOQPEGZSA-N
XLogP4.90
TPSA34.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.09
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione with MolForge

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Related Compounds

5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223375
(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 125055209
5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182047
(4S,5S)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 125054758
(4R,5S)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-phenyl-4-pyridin-2-ylimidazolidine-2-thione
CID 125080629
(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
CID 125056305
3-[(4R,5S)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 125065815
5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(4-ethoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156122
(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
5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183516
(4R,5S)-1-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 125081575
N-[4-[(4R,5S)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]propanamide
CID 100554050

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione (CID 125080286) is (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione is CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)cc21.
What is the InChIKey of (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is RDILUQOAZKOMTE-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H32ClN5S/c1-16-15-25(2,3)30(6)21-14-19(26)18(13-17(16)21)23-22(20-9-7-8-10-27-20)28-24(32)31(23)12-11-29(4)5/h7-10,13-15,22-23H,11-12H2,1-6H3,(H,28,32)/t22-,23+/m0/s1.
What are the key properties of (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione?
(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 470.09 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 125080286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).