5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C31H33N5OS — CID 133157805

IUPAC5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1
InChIInChI=1S/C31H33N5OS/c1-21-7-9-26(10-8-21)36-30(29(33-31(36)38)28-6-4-5-15-32-28)27-20-22(2)35(23(27)3)25-13-11-24(12-14-25)34-16-18-37-19-17-34/h4-15,20,29-30H,16-19H2,1-3H3,(H,33,38)
InChIKeyCNLKQGUVHHODKY-UHFFFAOYSA-N
MW523.71 g/mol
LogP5.81
Rot. Bonds5

About 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133157805) has the molecular formula C31H33N5OS and a molecular weight of 523.71 g/mol. Its IUPAC name is 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133157805
Molecular FormulaC31H33N5OS
Molecular Weight523.71 g/mol
Exact Mass523.24
IUPAC Name5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1
InChIInChI=1S/C31H33N5OS/c1-21-7-9-26(10-8-21)36-30(29(33-31(36)38)28-6-4-5-15-32-28)27-20-22(2)35(23(27)3)25-13-11-24(12-14-25)34-16-18-37-19-17-34/h4-15,20,29-30H,16-19H2,1-3H3,(H,33,38)
InChIKeyCNLKQGUVHHODKY-UHFFFAOYSA-N
XLogP5.81
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.71
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-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

5-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]-1-(4-morpholin-4-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156711
(4S,5R)-5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100596915
5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-morpholin-4-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156670
N-[4-[(4S,5R)-5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100611127
5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182339
5-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157861
5-[1-(4-ethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157855
N-[5-[5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]acetamide
CID 133243788
(4S,5S)-1-(4-bromo-3-methylphenyl)-5-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100506319
(4S,5S)-5-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-1-(4-fluoro-3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100500187
5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-phenyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133157714
5-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183049

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133157805) is 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1.
What is the InChIKey of 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is CNLKQGUVHHODKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5OS/c1-21-7-9-26(10-8-21)36-30(29(33-31(36)38)28-6-4-5-15-32-28)27-20-22(2)35(23(27)3)25-13-11-24(12-14-25)34-16-18-37-19-17-34/h4-15,20,29-30H,16-19H2,1-3H3,(H,33,38).
What are the key properties of 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 523.71 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133157805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).