1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C21H22N4OS — CID 133181341

IUPAC1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccc(CN2C(=S)NC(c3ccccn3)C2c2ccc(C)[nH]2)cc1
InChIInChI=1S/C21H22N4OS/c1-14-6-11-18(23-14)20-19(17-5-3-4-12-22-17)24-21(27)25(20)13-15-7-9-16(26-2)10-8-15/h3-12,19-20,23H,13H2,1-2H3,(H,24,27)
InChIKeyAYOGYVDIXKTWNQ-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.90
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133181341) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133181341
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccc(CN2C(=S)NC(c3ccccn3)C2c2ccc(C)[nH]2)cc1
InChIInChI=1S/C21H22N4OS/c1-14-6-11-18(23-14)20-19(17-5-3-4-12-22-17)24-21(27)25(20)13-15-7-9-16(26-2)10-8-15/h3-12,19-20,23H,13H2,1-2H3,(H,24,27)
InChIKeyAYOGYVDIXKTWNQ-UHFFFAOYSA-N
XLogP3.90
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-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

1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
CID 133181311
1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133181185
1-[(4-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181291
5-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181258
1-(3-hydroxypropyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133155416
1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1-pyridin-3-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181223
5-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181280
5-[5-(4-fluorophenyl)furan-2-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181315
5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-1-[(4-methoxyphenyl)methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181199
(4S,5S)-5-(5-methyl-1H-pyrrol-2-yl)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125076548
5-(5-methyl-1H-pyrrol-2-yl)-1-(oxolan-2-ylmethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223679
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 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133181341) is 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is COc1ccc(CN2C(=S)NC(c3ccccn3)C2c2ccc(C)[nH]2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is AYOGYVDIXKTWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-14-6-11-18(23-14)20-19(17-5-3-4-12-22-17)24-21(27)25(20)13-15-7-9-16(26-2)10-8-15/h3-12,19-20,23H,13H2,1-2H3,(H,24,27).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 378.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133181341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).