1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione

C21H21FN4S — CID 133182343

IUPAC1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCC(C)n1ccc(C2C(c3ccccn3)NC(=S)N2c2ccccc2F)c1
InChIInChI=1S/C21H21FN4S/c1-14(2)25-12-10-15(13-25)20-19(17-8-5-6-11-23-17)24-21(27)26(20)18-9-4-3-7-16(18)22/h3-14,19-20H,1-2H3,(H,24,27)
InChIKeyBRRBKMJMOVRWJJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.78
Rot. Bonds4

About 1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182343) has the molecular formula C21H21FN4S and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133182343
Molecular FormulaC21H21FN4S
Molecular Weight380.49 g/mol
Exact Mass380.15
IUPAC Name1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCC(C)n1ccc(C2C(c3ccccn3)NC(=S)N2c2ccccc2F)c1
InChIInChI=1S/C21H21FN4S/c1-14(2)25-12-10-15(13-25)20-19(17-8-5-6-11-23-17)24-21(27)26(20)18-9-4-3-7-16(18)22/h3-14,19-20H,1-2H3,(H,24,27)
InChIKeyBRRBKMJMOVRWJJ-UHFFFAOYSA-N
XLogP4.78
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.78
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

1-cyclopentyl-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133241865
1-[4-(dimethylamino)phenyl]-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156455
1-[4-(4-methoxyphenoxy)phenyl]-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133183854
1-(4-bromo-3-methylphenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133224274
N-[2-methoxy-5-[(4S,5S)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100591175
N-[2-methoxy-5-[(4S,5R)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100591190
1-[3-chloro-4-(2-methoxyethoxy)phenyl]-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157135
1-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182389
1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
CID 133182373
N-[2-methoxy-4-[(4S,5R)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 100541329
(4S,5R)-1-[[(2R)-oxolan-2-yl]methyl]-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 125081582
N-[2-chloro-4-[(4S,5S)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methoxyacetamide
CID 100573146

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133182343) is 1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione is CC(C)n1ccc(C2C(c3ccccn3)NC(=S)N2c2ccccc2F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is BRRBKMJMOVRWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4S/c1-14(2)25-12-10-15(13-25)20-19(17-8-5-6-11-23-17)24-21(27)26(20)18-9-4-3-7-16(18)22/h3-14,19-20H,1-2H3,(H,24,27).
What are the key properties of 1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 380.49 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-(1-propan-2-ylpyrrol-3-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).