(4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione

C26H32N4OS — CID 125080594

IUPAC(4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-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)N3C[C@H]3CCCO3)cc21
InChIInChI=1S/C26H32N4OS/c1-17-15-26(2,3)29(4)22-11-10-18(14-20(17)22)24-23(21-9-5-6-12-27-21)28-25(32)30(24)16-19-8-7-13-31-19/h5-6,9-12,14-15,19,23-24H,7-8,13,16H2,1-4H3,(H,28,32)/t19-,23+,24-/m1/s1
InChIKeyRROLVNUBDYGXOQ-VEXUSMLFSA-N
MW448.64 g/mol
LogP4.86
Rot. Bonds4

About (4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione

(4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione (PubChem CID 125080594) has the molecular formula C26H32N4OS and a molecular weight of 448.64 g/mol. Its IUPAC name is (4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name(4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
PubChem CID125080594
Molecular FormulaC26H32N4OS
Molecular Weight448.64 g/mol
Exact Mass448.23
IUPAC Name(4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-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)N3C[C@H]3CCCO3)cc21
InChIInChI=1S/C26H32N4OS/c1-17-15-26(2,3)29(4)22-11-10-18(14-20(17)22)24-23(21-9-5-6-12-27-21)28-25(32)30(24)16-19-8-7-13-31-19/h5-6,9-12,14-15,19,23-24H,7-8,13,16H2,1-4H3,(H,28,32)/t19-,23+,24-/m1/s1
InChIKeyRROLVNUBDYGXOQ-VEXUSMLFSA-N
XLogP4.86
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.64
LogP ≤ 54.86
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)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-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

1-methyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 133221337
(4R,5R)-1-(furan-2-ylmethyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125080278
(4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125078924
1-phenyl-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 133157654
(4R,5S)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125079407
1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 133181201
(4R,5S)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125079369
(4R,5R)-1-(4-bromophenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125079372
(4S,5R)-1-(4-ethoxyphenyl)-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 125079798
1-[4-(dimethylamino)phenyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione
CID 133156456
N-(2-ethylphenyl)-3-[(4R,5S)-4-pyridin-2-yl-2-sulfanylidene-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidin-1-yl]propanamide
CID 100672478
N-(2,5-dimethylphenyl)-3-[(4S,5R)-4-pyridin-2-yl-2-sulfanylidene-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidin-1-yl]propanamide
CID 125065626

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?
The IUPAC name of (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) is (4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione.
What is the SMILES notation for (4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?
The canonical SMILES for (4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-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)N3C[C@H]3CCCO3)cc21.
What is the InChIKey of (4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?
The InChIKey is RROLVNUBDYGXOQ-VEXUSMLFSA-N. The full InChI is InChI=1S/C26H32N4OS/c1-17-15-26(2,3)29(4)22-11-10-18(14-20(17)22)24-23(21-9-5-6-12-27-21)28-25(32)30(24)16-19-8-7-13-31-19/h5-6,9-12,14-15,19,23-24H,7-8,13,16H2,1-4H3,(H,28,32)/t19-,23+,24-/m1/s1.
What are the key properties of (4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione?
(4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione has a molecular weight of 448.64 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-yl-5-(1,2,2,4-tetramethylquinolin-6-yl)imidazolidine-2-thione is sourced from PubChem (CID 125080594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).