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

C26H25N5OS — CID 133183018

IUPAC5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccccc1N1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2cccnc2)c1C
InChIInChI=1S/C26H25N5OS/c1-17-15-20(18(2)30(17)19-9-8-13-27-16-19)25-24(21-10-6-7-14-28-21)29-26(33)31(25)22-11-4-5-12-23(22)32-3/h4-16,24-25H,1-3H3,(H,29,33)
InChIKeyJQKCZZLXCCJNSD-UHFFFAOYSA-N
MW455.59 g/mol
LogP5.07
Rot. Bonds5

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

5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183018) has the molecular formula C26H25N5OS and a molecular weight of 455.59 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133183018
Molecular FormulaC26H25N5OS
Molecular Weight455.59 g/mol
Exact Mass455.18
IUPAC Name5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccccc1N1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2cccnc2)c1C
InChIInChI=1S/C26H25N5OS/c1-17-15-20(18(2)30(17)19-9-8-13-27-16-19)25-24(21-10-6-7-14-28-21)29-26(33)31(25)22-11-4-5-12-23(22)32-3/h4-16,24-25H,1-3H3,(H,29,33)
InChIKeyJQKCZZLXCCJNSD-UHFFFAOYSA-N
XLogP5.07
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.59
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183076
5-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183049
5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183062
5-[2,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183089
N-[4-[(4S,5R)-5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methoxyphenyl]-2,2-dimethylpropanamide
CID 100541666
5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133243967
5-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183013
5-(1-ethyl-2,5-dimethylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183039
5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221876
5-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-phenyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133157702
5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182381
5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181725

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133183018) is 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is COc1ccccc1N1C(=S)NC(c2ccccn2)C1c1cc(C)n(-c2cccnc2)c1C.
What is the InChIKey of 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is JQKCZZLXCCJNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5OS/c1-17-15-20(18(2)30(17)19-9-8-13-27-16-19)25-24(21-10-6-7-14-28-21)29-26(33)31(25)22-11-4-5-12-23(22)32-3/h4-16,24-25H,1-3H3,(H,29,33).
What are the key properties of 5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 455.59 g/mol, XLogP of 5.07, 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-pyridin-3-ylpyrrol-3-yl)-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).