1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione

C22H24N4S — CID 133158004

IUPAC1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
SMILESCc1cccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(C)c2C)c1
InChIInChI=1S/C22H24N4S/c1-14-8-7-9-17(12-14)26-21(18-13-15(2)25(4)16(18)3)20(24-22(26)27)19-10-5-6-11-23-19/h5-13,20-21H,1-4H3,(H,24,27)
InChIKeyFKEUXUNEMMFIDJ-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.52
Rot. Bonds3

About 1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione

1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione (PubChem CID 133158004) has the molecular formula C22H24N4S and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
PubChem CID133158004
Molecular FormulaC22H24N4S
Molecular Weight376.53 g/mol
Exact Mass376.17
IUPAC Name1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
SMILESCc1cccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(C)c2C)c1
InChIInChI=1S/C22H24N4S/c1-14-8-7-9-17(12-14)26-21(18-13-15(2)25(4)16(18)3)20(24-22(26)27)19-10-5-6-11-23-19/h5-13,20-21H,1-4H3,(H,24,27)
InChIKeyFKEUXUNEMMFIDJ-UHFFFAOYSA-N
XLogP4.52
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158029
5-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-1-(4-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182218
5-[2,5-dimethyl-1-(pyridin-4-ylmethyl)pyrrol-3-yl]-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157979
(4S,5S)-1-(4-bromo-3-methylphenyl)-5-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100506279
5-[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158047
(4S,5R)-1-(4-bromo-3-methylphenyl)-5-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100506271
1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
CID 133182373
5-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-phenyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133157714
N-[4-[(4S,5S)-4-pyridin-2-yl-2-sulfanylidene-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidin-1-yl]phenyl]methanesulfonamide
CID 100613340
N-[2-methyl-4-[(4S,5R)-4-pyridin-2-yl-2-sulfanylidene-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidin-1-yl]phenyl]methanesulfonamide
CID 100637839
N-[2-methyl-4-[(4S,5S)-4-pyridin-2-yl-2-sulfanylidene-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidin-1-yl]phenyl]methanesulfonamide
CID 100637853
5-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133243995

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione?
The IUPAC name of 1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione (CID 133158004) is 1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione.
What is the SMILES notation for 1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione?
The canonical SMILES for 1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione is Cc1cccc(N2C(=S)NC(c3ccccn3)C2c2cc(C)n(C)c2C)c1.
What is the InChIKey of 1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione?
The InChIKey is FKEUXUNEMMFIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S/c1-14-8-7-9-17(12-14)26-21(18-13-15(2)25(4)16(18)3)20(24-22(26)27)19-10-5-6-11-23-19/h5-13,20-21H,1-4H3,(H,24,27).
What are the key properties of 1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione?
1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione has a molecular weight of 376.53 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione is sourced from PubChem (CID 133158004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).