5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione

C24H29ClN4OS — CID 133182047

IUPAC5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(C3C(c4ccccn4)NC(=S)N3CCCO)cc21
InChIInChI=1S/C24H29ClN4OS/c1-15-14-24(2,3)28(4)20-13-18(25)17(12-16(15)20)22-21(19-8-5-6-9-26-19)27-23(31)29(22)10-7-11-30/h5-6,8-9,12-14,21-22,30H,7,10-11H2,1-4H3,(H,27,31)
InChIKeyDIRIQURCDQDAML-UHFFFAOYSA-N
MW457.04 g/mol
LogP4.72
Rot. Bonds5

About 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182047) has the molecular formula C24H29ClN4OS and a molecular weight of 457.04 g/mol. Its IUPAC name is 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133182047
Molecular FormulaC24H29ClN4OS
Molecular Weight457.04 g/mol
Exact Mass456.18
IUPAC Name5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCC1=CC(C)(C)N(C)c2cc(Cl)c(C3C(c4ccccn4)NC(=S)N3CCCO)cc21
InChIInChI=1S/C24H29ClN4OS/c1-15-14-24(2,3)28(4)20-13-18(25)17(12-16(15)20)22-21(19-8-5-6-9-26-19)27-23(31)29(22)10-7-11-30/h5-6,8-9,12-14,21-22,30H,7,10-11H2,1-4H3,(H,27,31)
InChIKeyDIRIQURCDQDAML-UHFFFAOYSA-N
XLogP4.72
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.04
LogP ≤ 54.72
H-Bond Donors ≤ 52
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'}

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Related Compounds

(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 125055209
(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125080286
5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[2-(dimethylamino)ethyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223375
(4S,5S)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(2-methylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 125054758
(4R,5R)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-propan-2-yl-4-pyridin-2-ylimidazolidine-2-thione
CID 125056305
(4R,5S)-5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-phenyl-4-pyridin-2-ylimidazolidine-2-thione
CID 125080629
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
5-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182095
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 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133182047) is 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione is CC1=CC(C)(C)N(C)c2cc(Cl)c(C3C(c4ccccn4)NC(=S)N3CCCO)cc21.
What is the InChIKey of 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is DIRIQURCDQDAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4OS/c1-15-14-24(2,3)28(4)20-13-18(25)17(12-16(15)20)22-21(19-8-5-6-9-26-19)27-23(31)29(22)10-7-11-30/h5-6,8-9,12-14,21-22,30H,7,10-11H2,1-4H3,(H,27,31).
What are the key properties of 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 457.04 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).