1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C21H23N5S — CID 133156539

IUPAC1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN(C)c1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2C)cc1
InChIInChI=1S/C21H23N5S/c1-24(2)15-9-11-16(12-10-15)26-20(18-8-6-14-25(18)3)19(23-21(26)27)17-7-4-5-13-22-17/h4-14,19-20H,1-3H3,(H,23,27)
InChIKeyKQLAEHUETWEIHV-UHFFFAOYSA-N
MW377.52 g/mol
LogP3.66
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133156539) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133156539
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC Name1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCN(C)c1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2C)cc1
InChIInChI=1S/C21H23N5S/c1-24(2)15-9-11-16(12-10-15)26-20(18-8-6-14-25(18)3)19(23-21(26)27)17-7-4-5-13-22-17/h4-14,19-20H,1-3H3,(H,23,27)
InChIKeyKQLAEHUETWEIHV-UHFFFAOYSA-N
XLogP3.66
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)phenyl]-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156542
1-(4-chlorophenyl)-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182588
1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158466
(4R,5S)-5-(1-methylpyrrol-2-yl)-1-(4-morpholin-4-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 54776406
5-[1-(5-chloro-2-pyridinyl)pyrrol-2-yl]-1-[4-(dimethylamino)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156560
5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-1-(4-ethoxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156208
1-[4-(dimethylamino)phenyl]-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156470
1-[4-(dimethylamino)phenyl]-4-pyridin-2-yl-5-[1-(pyridin-3-ylmethyl)pyrrol-2-yl]imidazolidine-2-thione
CID 133156475
(4R,5R)-1-(4-bromo-3-methylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100507763
(4R,5S)-1-(4-cyclopentyloxyphenyl)-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100607929
(4S,5S)-1-(4-cyclopentyloxyphenyl)-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100607913
1-[4-(dimethylamino)phenyl]-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156455

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133156539) is 1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is CN(C)c1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2C)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is KQLAEHUETWEIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-24(2)15-9-11-16(12-10-15)26-20(18-8-6-14-25(18)3)19(23-21(26)27)17-7-4-5-13-22-17/h4-14,19-20H,1-3H3,(H,23,27).
What are the key properties of 1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 377.52 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133156539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).