5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione

C22H25N5S — CID 133221876

IUPAC5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCN1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2cccnc2)c1C
InChIInChI=1S/C22H25N5S/c1-4-12-26-21(20(25-22(26)28)19-9-5-6-11-24-19)18-13-15(2)27(16(18)3)17-8-7-10-23-14-17/h5-11,13-14,20-21H,4,12H2,1-3H3,(H,25,28)
InChIKeyDNDHOXDIPPNZAJ-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.27
Rot. Bonds5

About 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione

5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133221876) has the molecular formula C22H25N5S and a molecular weight of 391.54 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133221876
Molecular FormulaC22H25N5S
Molecular Weight391.54 g/mol
Exact Mass391.18
IUPAC Name5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
SMILESCCCN1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2cccnc2)c1C
InChIInChI=1S/C22H25N5S/c1-4-12-26-21(20(25-22(26)28)19-9-5-6-11-24-19)18-13-15(2)27(16(18)3)17-8-7-10-23-14-17/h5-11,13-14,20-21H,4,12H2,1-3H3,(H,25,28)
InChIKeyDNDHOXDIPPNZAJ-UHFFFAOYSA-N
XLogP4.27
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(3-hydroxypropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182056
5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181725
5-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221915
5-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221925
3-[(4R,5R)-5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-methylphenyl)propanamide
CID 100720940
3-[(4S,5R)-5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-methylphenyl)propanamide
CID 100680758
2-[(4S,5S)-5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100656515
1-[2-(dimethylamino)ethyl]-5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223412
5-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221935
3-[(4S,5S)-5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 100687948
3-[(4R,5S)-5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-fluorophenyl)propanamide
CID 100687972
3-[(4S,5R)-5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-naphthalen-1-ylpropanamide
CID 100727554

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione (CID 133221876) is 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione is CCCN1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2cccnc2)c1C.
What is the InChIKey of 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is DNDHOXDIPPNZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5S/c1-4-12-26-21(20(25-22(26)28)19-9-5-6-11-24-19)18-13-15(2)27(16(18)3)17-8-7-10-23-14-17/h5-11,13-14,20-21H,4,12H2,1-3H3,(H,25,28).
What are the key properties of 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione?
5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 391.54 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133221876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).