5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

C21H22N4S — CID 133157830

IUPAC5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(C)n2C)cc1
InChIInChI=1S/C21H22N4S/c1-14-7-10-16(11-8-14)25-20(18-12-9-15(2)24(18)3)19(23-21(25)26)17-6-4-5-13-22-17/h4-13,19-20H,1-3H3,(H,23,26)
InChIKeyHWVHDYQHJDMRJU-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.21
Rot. Bonds3

About 5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione

5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133157830) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133157830
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC Name5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(C)n2C)cc1
InChIInChI=1S/C21H22N4S/c1-14-7-10-16(11-8-14)25-20(18-12-9-15(2)24(18)3)19(23-21(25)26)17-6-4-5-13-22-17/h4-13,19-20H,1-3H3,(H,23,26)
InChIKeyHWVHDYQHJDMRJU-UHFFFAOYSA-N
XLogP4.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1,5-dimethylpyrrol-2-yl)-1-(4-ethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158569
(4R,5S)-1-(4-bromo-3-methylphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100505594
1-(4-methylphenyl)-5-(1-phenylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157895
5-(1,5-dimethylpyrrol-2-yl)-1-(3-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182859
1-(3-chloro-4-methoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224466
1-(4-chlorophenyl)-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182587
5-(1,5-dimethylpyrrol-2-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183020
1-(4-methylphenyl)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157893
5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157824
1-[4-(4-methylphenoxy)phenyl]-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133183689
N-[5-[(4S,5R)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]acetamide
CID 100591836
1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223809

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133157830) is 5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc(N2C(=S)NC(c3ccccn3)C2c2ccc(C)n2C)cc1.
What is the InChIKey of 5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is HWVHDYQHJDMRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-14-7-10-16(11-8-14)25-20(18-12-9-15(2)24(18)3)19(23-21(25)26)17-6-4-5-13-22-17/h4-13,19-20H,1-3H3,(H,23,26).
What are the key properties of 5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 362.50 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrrol-2-yl)-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133157830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).