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

C25H23N5OS — CID 133183177

IUPAC5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1
InChIInChI=1S/C25H23N5OS/c1-16-15-18(17(2)29(16)22-12-6-8-14-27-22)24-23(19-9-5-7-13-26-19)28-25(32)30(24)20-10-3-4-11-21(20)31/h3-15,23-24,31H,1-2H3,(H,28,32)
InChIKeyLCGPOQFBGQNKIT-UHFFFAOYSA-N
MW441.56 g/mol
LogP4.77
Rot. Bonds4

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

5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183177) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133183177
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC Name5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1
InChIInChI=1S/C25H23N5OS/c1-16-15-18(17(2)29(16)22-12-6-8-14-27-22)24-23(19-9-5-7-13-26-19)28-25(32)30(24)20-10-3-4-11-21(20)31/h3-15,23-24,31H,1-2H3,(H,28,32)
InChIKeyLCGPOQFBGQNKIT-UHFFFAOYSA-N
XLogP4.77
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'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-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183236
5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-methoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183062
5-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183229
5-[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183214
5-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183217
1-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182389
1-[4-(dimethylamino)phenyl]-5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156509
methyl 4-[3-[3-(2-hydroxyphenyl)-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]-2,5-dimethylpyrrol-1-yl]benzoate
CID 133183313
1-(5-chloro-2-hydroxyphenyl)-5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224020
(4R,5R)-1-(4-fluoro-3-methylphenyl)-5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100500659
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-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182381

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133183177) is 5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1-c1ccccn1.
What is the InChIKey of 5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is LCGPOQFBGQNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS/c1-16-15-18(17(2)29(16)22-12-6-8-14-27-22)24-23(19-9-5-7-13-26-19)28-25(32)30(24)20-10-3-4-11-21(20)31/h3-15,23-24,31H,1-2H3,(H,28,32).
What are the key properties of 5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 441.56 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-1-(2-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).