1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione

C21H23N5S — CID 133222037

IUPAC1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione
SMILESCC(C)CN1C(=S)NC(c2ccccn2)C1c1cccn1-c1ccncc1
InChIInChI=1S/C21H23N5S/c1-15(2)14-26-20(19(24-21(26)27)17-6-3-4-10-23-17)18-7-5-13-25(18)16-8-11-22-12-9-16/h3-13,15,19-20H,14H2,1-2H3,(H,24,27)
InChIKeyWONLZGWCKMMDFA-UHFFFAOYSA-N
MW377.52 g/mol
LogP3.90
Rot. Bonds5

About 1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione

1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione (PubChem CID 133222037) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione
PubChem CID133222037
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC Name1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione
SMILESCC(C)CN1C(=S)NC(c2ccccn2)C1c1cccn1-c1ccncc1
InChIInChI=1S/C21H23N5S/c1-15(2)14-26-20(19(24-21(26)27)17-6-3-4-10-23-17)18-7-5-13-25(18)16-8-11-22-12-9-16/h3-13,15,19-20H,14H2,1-2H3,(H,24,27)
InChIKeyWONLZGWCKMMDFA-UHFFFAOYSA-N
XLogP3.90
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 53.90
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

N-phenyl-3-[(4R,5S)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100665885
N-(2-methylphenyl)-3-[(4R,5S)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100720824
N-(4-methylphenyl)-3-[4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 133208593
1-(4-fluoro-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133224119
1-[4-(4-methylphenoxy)phenyl]-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133183689
5-[1-(4-fluorophenyl)pyrrol-2-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222432
N-[4-[(4R,5R)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100611644
5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221963
1-[(4-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181291
5-[1-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221884
1-(2-hydroxyethyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181971
N-(2,5-dimethylphenyl)-3-[(4R,5S)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100702802

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione?
The IUPAC name of 1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione (CID 133222037) is 1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione.
What is the SMILES notation for 1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione?
The canonical SMILES for 1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione is CC(C)CN1C(=S)NC(c2ccccn2)C1c1cccn1-c1ccncc1.
What is the InChIKey of 1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione?
The InChIKey is WONLZGWCKMMDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-15(2)14-26-20(19(24-21(26)27)17-6-3-4-10-23-17)18-7-5-13-25(18)16-8-11-22-12-9-16/h3-13,15,19-20H,14H2,1-2H3,(H,24,27).
What are the key properties of 1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione?
1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione has a molecular weight of 377.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-pyridin-2-yl-5-(1-pyridin-4-ylpyrrol-2-yl)imidazolidine-2-thione is sourced from PubChem (CID 133222037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).