1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione

C26H25N5O2S — CID 133223896

IUPAC1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
SMILESCOc1ccc(OC)c(N2C(=S)NC(c3ccccn3)C2c2cccn2Cc2ccccn2)c1
InChIInChI=1S/C26H25N5O2S/c1-32-19-11-12-23(33-2)22(16-19)31-25(24(29-26(31)34)20-9-4-6-14-28-20)21-10-7-15-30(21)17-18-8-3-5-13-27-18/h3-16,24-25H,17H2,1-2H3,(H,29,34)
InChIKeyFKEKDXHELKJPNV-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.52
Rot. Bonds7

About 1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione

1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione (PubChem CID 133223896) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
PubChem CID133223896
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
SMILESCOc1ccc(OC)c(N2C(=S)NC(c3ccccn3)C2c2cccn2Cc2ccccn2)c1
InChIInChI=1S/C26H25N5O2S/c1-32-19-11-12-23(33-2)22(16-19)31-25(24(29-26(31)34)20-9-4-6-14-28-20)21-10-7-15-30(21)17-18-8-3-5-13-27-18/h3-16,24-25H,17H2,1-2H3,(H,29,34)
InChIKeyFKEKDXHELKJPNV-UHFFFAOYSA-N
XLogP4.52
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dimethoxyphenyl)-5-[1-(oxolan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223812
1-(2,5-dimethoxyphenyl)-5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223892
1-(4-ethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
CID 133156227
1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
CID 133181311
1-(2,5-dimethoxyphenyl)-5-(1,5-dimethylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223809
N-[2-methoxy-5-[4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 133208229
1-(2-methoxyphenyl)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183027
N-[4-[(4S,5S)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100619318
1-(2-hydroxyphenyl)-5-[1-(2-methoxyethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183190
4-[3-[3-(2,5-dimethoxyphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 133223849
N-[2-methoxy-4-[5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 133243004
N-[2-methoxy-4-[(4S,5S)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 100563957

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione (CID 133223896) is 1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione is COc1ccc(OC)c(N2C(=S)NC(c3ccccn3)C2c2cccn2Cc2ccccn2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione?
The InChIKey is FKEKDXHELKJPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-32-19-11-12-23(33-2)22(16-19)31-25(24(29-26(31)34)20-9-4-6-14-28-20)21-10-7-15-30(21)17-18-8-3-5-13-27-18/h3-16,24-25H,17H2,1-2H3,(H,29,34).
What are the key properties of 1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione?
1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione has a molecular weight of 471.59 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-4-pyridin-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione is sourced from PubChem (CID 133223896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).